SCHEMBL6651630

SCHEMBL6651630

CN1Cc2ccccc2C[C@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
OPRL1 P41146 2/20 0.48
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
PDE8B O95263 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CXCR4 P61073 2/20 0.37
NOTUM Q6P988 1/20 0.37
BCL2 P10415 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACE P12821 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL6651633 1.00 OPRM1 (0.48) OPRM1OPRL1DRD2DRD1DRD4
SCHEMBL14135549 0.83 OPRM1 (0.49) OPRM1OPRL1DRD3PDE8BALDH1A1
SCHEMBL13155623 0.83 OPRM1 (0.49) OPRM1OPRL1DRD3PDE8BALDH1A1
SCHEMBL13452979 0.83 OPRM1 (0.49) OPRM1OPRL1DRD3PDE8BALDH1A1
SCHEMBL30095938 0.81 OPRM1 (0.48) OPRM1OPRL1PDE8BALDH1A1MAPK1
SCHEMBL32676674 0.81 OPRM1 (0.48) OPRM1OPRL1PDE8BALDH1A1MAPK1
SCHEMBL32676862 0.81 OPRM1 (0.48) OPRM1OPRL1PDE8BALDH1A1MAPK1
SCHEMBL13156034 0.81 OPRM1 (0.45) OPRM1OPRL1PDE8BALDH1A1MAPK1
SCHEMBL24062725 0.80 OPRM1 (0.47) OPRM1OPRL1DRD3PDE8BALDH1A1
SCHEMBL14879167 0.80 HTR1A (0.40) DRD2DRD1DRD4ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
EP-1149079-B1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK CORP (KR) 2004-04-21 EP disclosed
EP-1149079-A1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK Corporation (KR) 2001-10-31 EP disclosed
WO-2000046204-A1 TETRAHYDRO ISOQUINO LINEALKANOL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SK CORPORATION (KR) 2000-08-10 WO disclosed
US-5955471-A USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, INCLUDING DEPRESSION SK CORPORATION (US) 1999-09-21 US 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE4C OPRM1 4318/4885OPRL1 2208/4885DRD2 2327/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA OPRM1 30/4885OPRL1 29/4885DRD2 738/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 OPRM1 4468/4885OPRL1 2449/4885DRD2 1625/4885
US-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 OPRM1 4653/4885OPRL1 2267/4885DRD2 4541/4885

“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.