Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzo[C]Isoxazole. 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 | |
|---|---|---|---|---|
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.35 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.33 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL1879779 | 0.95 | NPC1 (0.43) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL27845401 | 0.95 | NPC1 (0.43) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL28208572 | 0.93 | RAB9A (0.42) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL2493132 | 0.91 | NPC1 (0.41) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Biphenyl SCHEMBL3685922 | 0.89 | NPC1 (0.44) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL23045175 | 0.85 | NPC1 (0.38) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL22579004 | 0.85 | NPC1 (0.41) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL11231055 | 0.85 | RAB9A (0.41) | RAB9ANPC1MAPTALDH1A1HPGD | |
| Benzo[C]Isoxazole SCHEMBL8468373 | 0.80 | KDM4E (0.47) | RAB9ANPC1MAPTALDH1A1KDM4E | |
| Benzo[C]Isoxazole SCHEMBL6991289 | 0.80 | KDM4E (0.47) | RAB9ANPC1MAPTALDH1A1KDM4E |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2683717-A1 | PREPARATION OF 3-[2-[4-((6-FLUORO-1, 2-BENZISOXAZOL-3-YL)-L-PIPERIDINYL)-6, 7, 8, 9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDO[ 1, 2-A]-PYRIMIDIN-4-ONE (PALIPERIDONE) AND PALIPERIDONE PALMITATE. | Ramamohan Rao, Davuluri (IN) | 2014-01-15 | — | — | EP | disclosed |
| WO-2013080220-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF 3-[2-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL]ETHYL]-6,7,8,9-TETRAHYDIO-9-HYDROXY-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. | DAVULURI RAMMOHAN RAO (IN) | 2013-06-06 | — | — | WO | disclosed |
| WO-2012164582-A1 | PREPARATION OF 3-[2-[4-((6-FLUORO-1, 2-BENZISOXAZOL-3-YL)-L-PIPERIDINYL)-6, 7, 8, 9-TETRAHYDRO-9-HYDROXY-2-METHYL-4H-PYRIDO[ 1, 2-A]-PYRIMIDIN-4-ONE (PALIPERIDONE) AND PALIPERIDONE PALMITATE. | RAMAMOHAN RAO DAVULURI (IN) | 2012-12-06 | — | — | WO | disclosed |
| WO-2012134445-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF PALIPERIDONE | WATSON LABORATORIES, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| EP-2321312-A1 | PROCESS FOR THE PREPARATION OF PALIPERIDONE | Krka, D.D., Novo Mesto (SI) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010089643-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF PALIPERIDONE | CADILA PHARMACEUTICALS LTD. (IN) | 2010-08-12 | — | — | WO | disclosed |
| WO-2010082110-A2 | NOVEL PROCESS FOR PREPARING PURE 6-FLUORO-3-PIPERIDIN-4-YL-1,2-BENZISOXAZOLE HYDROCHLORIDE AND ITS CONVERSION TO PALIPERIDONE | CADILA PHARMACEUTICALS LTD (IN) | 2010-07-22 | — | — | WO | disclosed |
| WO-2010082111-A1 | PREPARATION OF 3-(2-HYDROXY ETHYL)-9-HYDROXY-2-METHYL-4H-PYRIDO-[1,2-A]-PYRIMIDIN-4-ONE OR ITS ACID ADDITION SALT | CADILA PHARMACEUTICALS LTD. (IN) | 2010-07-22 | — | — | WO | disclosed |
| WO-2010064134-A2 | PROCESS OF SYNTHESIS OF PALIPERIDONE | CADILA PHARMACEUTICALS LTD. (IN) | 2010-06-10 | — | — | WO | disclosed |
| WO-2010014047-A1 | PROCESS FOR THE PREPARATION OF PALIPERIDONE | KRKA, D.D., NOVO MESTO (SI) | 2010-02-04 | — | — | WO | disclosed |
| WO-2009091962-A1 | A NOVEL INTERMEDIATE FOR THE PREPARATION OF PALIPERIDONE | SCINOPHARM TAIWAN LTD. (TW) | 2009-07-23 | — | — | WO | disclosed |
| WO-2007093870-A2 | A PROCESS FOR THE PREPARATION OF RISPERIDONE | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2007-08-23 | — | — | WO | disclosed |
| EP-1778287-A2 | COMBINATION THERAPY WITH NK3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SCHIZOPHRENIA | MERCK SHARP & DOHME LTD. (GB) | 2007-05-02 | — | — | EP | disclosed |
| EP-1685100-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | Merck Sharp & Dohme Limited (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2006016192-A2 | COMBINATION THERAPY WITH NK3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF SCHIZOPHRENIA | MERCK SHARP & DOHME LIMITED (GB) | 2006-02-16 | — | — | WO | disclosed |
| WO-2005047246-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| WO-2000010572-A1 | USE OF HYDROXYRISPERIDONE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND PREVENTION OF PSYCHOSES, EMESIS AND SYMPTOMS OF WITHDRAWAL FROM ALCOHOL AND NICOTINE | SEPRACOR INC. (US) | 2000-03-02 | — | — | WO | disclosed |
| WO-1999059590-A1 | (+)-HYDROXYRISPERIDONE COMPOSITIONS AND METHODS | SEPRACOR INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |