Lachesine

Lachesine

SCHEMBL3638169

CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl.[Cl-]

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Lachesine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 7/20 0.73
CHRM2 known ✓ P08172 6/20 0.73
CHRM3 known ✓ P20309 6/20 0.73
CHRM4 known ✓ P08173 4/20 0.73
SCN1A known ✓ P35498 2/20 0.52
SCN2A known ✓ Q99250 2/20 0.52
SCN3A known ✓ Q9NY46 2/20 0.52
SLC6A3 known ✓ Q01959 1/20 0.52
KCNH2 known ✓ Q12809 1/20 0.52
CHRM5 known ✓ P08912 2/20 0.49
GAA known ✓ P10253 1/20 0.43
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.43

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.

Compoundsimilaritytop predictedshared targets
Lachesine SCHEMBL1946024 0.99 CHRM1 (0.75) CHRM1CHRM2CHRM3CHRM4MEN1
Methylbenactyzium SCHEMBL8816404 0.87 CHRM1 (0.94) CHRM1CHRM2CHRM3CHRM4MEN1
Methylbenactyzium SCHEMBL669744 0.86 CHRM1 (0.97) CHRM1CHRM2CHRM3CHRM4MEN1
Methylbenactyzium SCHEMBL60901 0.84 CHRM1 (1.00) CHRM1CHRM2CHRM3CHRM4MEN1
Metocinium SCHEMBL2108327 0.84 CHRM2 (0.74) CHRM1CHRM2CHRM3CHRM4MEN1
Metocinium SCHEMBL2732726 0.82 CHRM2 (0.72) CHRM1CHRM2CHRM3CHRM4MEN1
Methylbenactyzium SCHEMBL8446490 0.82 CHRM1 (0.95) CHRM1CHRM2CHRM3CHRM4MEN1
Bromide SCHEMBL31691733 0.82 CHRM2 (0.67) CHRM1CHRM2CHRM3CHRM4MEN1
Hydrochloric Acid SCHEMBL29894890 0.80 CHRM2 (0.81) CHRM1CHRM2CHRM3CHRM4MEN1
SCHEMBL5158545 0.79 MEN1 (0.68) CHRM1CHRM2CHRM3CHRM4MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152255-A1 OPHTHALMIC FORMULATIONS OF AMYLOID- CONTRAST AGENTS AND METHODS OF USE THEREOF Neuroptix Corporation (US) 2010-02-17 EP disclosed
US-20090041666-A1 Ophthalmic formulations of Amyloid-beta contrast agent and methods of use thereof NEUROPTIX CORPORATION 2009-02-12 US disclosed
WO-2008144065-A1 OPHTHALMIC FORMULATIONS OF AMYLOID- CONTRAST AGENTS AND METHODS OF USE THEREOF NEUROPTIX CORPORATION (US) 2008-11-27 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 (1 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090041666-A1 Ophthalmic formulations of Amyloid-beta contrast agent and methods of use thereof APP, IAPP, CRYAB CHRM1 833/4885CHRM2 380/4885CHRM3 780/4885

“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.