Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methylpiperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.37 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL541757 | 0.97 | CA2 (0.41) | CA2CA12CA1CA9CHKA | |
| Methylpiperazine SCHEMBL28060474 | 0.85 | CYP1A2 (0.42) | CA2CA12CA1CA9CHKA | |
| Methylpiperazine SCHEMBL16669183 | 0.84 | CA2 (0.42) | CA2CA12CA1CA9CHKA | |
| Methylpiperazine SCHEMBL9772810 | 0.84 | PHGDH (0.42) | CA2CA12CA1CA9CHKA | |
| Methylpiperazine SCHEMBL1658174 | 0.84 | — | — | |
| Methylpiperazine SCHEMBL483205 | 0.84 | — | — | |
| Methylpiperazine SCHEMBL313474 | 0.84 | — | — | |
| Methylpiperazine SCHEMBL11679699 | 0.84 | PHGDH (0.40) | CA2CA12CA1CA9PHGDH | |
| Methylpiperazine SCHEMBL7487241 | 0.82 | CA2 (0.41) | CA2CA12CA1CA9CHKA | |
| Methylpiperazine SCHEMBL1681596 | 0.82 | CYP1A2 (0.44) | CA2CA12CA1CA9CHKA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121667-B1 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | SQUIBB & SONS LLC (US) | 2016-06-08 | — | — | EP | disclosed |
| US-8785424-B2 | ngCycloartanone derivatives with anticancer activity | PIERRE FABRE MEDICAMENT (FR) | 2014-07-22 | — | — | US | disclosed |
| US-8664407-B2 | Chemical linkers with single amino acids and conjugates thereof | Medarex, LLC (US) | 2014-03-04 | — | — | US | disclosed |
| US-20120077777-A1 | NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-03-29 | — | — | US | disclosed |
| US-20100197919-A1 | METHOD FOR PRODUCING MACROLIDE COMPOUND AND PRODUCTION INTERMEDIATE THEREOF | MERCIAN CORPORATION (JP) | 2010-08-05 | — | — | US | disclosed |
| US-20100113476-A1 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | E. R. SQUIBB & SONS, L.L.C. | 2010-05-06 | — | — | US | disclosed |
| EP-2168961-A1 | PROCESS FOR PRODUCING MACROLIDE COMPOUND AND INTERMEDIATE THEREFOR | Eisai R&D Management Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |
| CN-101616911-A | Chemical linkers and conjugate thereof with single amino acids | MEDAREX INC | 2009-12-30 | — | — | CN | disclosed |
| EP-2121667-A2 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | Medarex Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090198058-A1 | Process for Preparation of Dextrorotatory Isomer of 6-(5- chloro-pyrid-2-yl)-5-[(4-methyl -1-piperazinyl) carbonyloxy] -7-oxo-6,7-dihydro-5H-pyrrolo [3,4-b] pyrazine (Eszopiclone) | USV LIMITED (IN) | 2009-08-06 | — | — | US | disclosed |
| WO-2009063486-A2 | PROCESS FOR PREPARATION OF DEXTROROTATORY ISOMER OF 6-(5-CHLORO-PYRID-2-YI)-5-[(4-METHYL -1-PIPERAZINYL) CARBONYLOXY]-7-OXO-6,7-DIHYDRO-5H-PYRROLO [3,4-B] PYRAZINE (ESZOPICLONE) | USV LIMITED (IN) | 2009-05-22 | — | — | WO | disclosed |
| WO-2008103693-A2 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | MEDAREX, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1363873-A4 | PEPTIDE DEFORMYLASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2006-01-04 | — | — | EP | disclosed |
| EP-1363873-A2 | PEPTIDE DEFORMYLASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002070541-A2 | PEPTIDE DEFORMYLASE INHIBITORS | SMITH KLINE BEECHAM CORPORATION (US) | 2002-09-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090198058-A1 | Process for Preparation of Dextrorotatory Isomer of 6-(5- chloro-pyrid-2-yl)-5-[(4-methyl -1-piperazinyl) carbonyloxy] -7-oxo-6,7-dihydro-5H-pyrrolo [3,4-b] pyrazine (Eszopiclone) | CYP3A5, CYP3A7, CYP4Z1 | CA2 2981/4885CHRNA3 169/4885HSD11B1 318/4885 |
| US-20100113476-A1 | CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF | DNPEP, ANTXR2, CLSPN | CA2 3829/4885CHRNA3 4383/4885HSD11B1 4879/4885 |
| US-20120077777-A1 | NGCYCLOARTANONE DERIVATIVES WITH ANTICANCER ACTIVITY | PKD1, NME1, NGLY1 | CA2 2738/4885CHRNA3 4743/4885HSD11B1 62/4885 |
| US-20100197919-A1 | METHOD FOR PRODUCING MACROLIDE COMPOUND AND PRODUCTION INTERMEDIATE THEREOF | HUNK, CYP51A1, EIF3K | CA2 3950/4885CHRNA3 4879/4885HSD11B1 996/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.