SCHEMBL341892

SCHEMBL341892

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(Cc3ccccc3O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.55
HTR2A P28223 4/20 0.53
POLB P06746 1/20 0.47
CCR5 P51681 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 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
SCHEMBL4220408 0.89 OPRM1 (0.63) OPRM1HTR2ACCR5SIGMAR1UBE2M
SCHEMBL339807 0.88 HTR2A (0.61) OPRM1HTR2APOLBCCR5SIGMAR1
Hydrochloric Acid SCHEMBL4920052 0.88 OPRM1 (0.62) OPRM1HTR2APOLBCCR5SIGMAR1
Oxalic Acid SCHEMBL4217435 0.87 OPRM1 (0.61) OPRM1HTR2ACCR5SIGMAR1KDM4E
SCHEMBL341425 0.87 HTR2A (0.57) OPRM1HTR2APOLBCCR5SIGMAR1
SCHEMBL340597 0.85 HTR2A (0.62) OPRM1HTR2APOLBCCR5UBE2M
SCHEMBL22426263 0.83 OPRM1 (0.59) OPRM1HTR2APOLBCCR5SIGMAR1
SCHEMBL342820 0.83 OPRM1 (0.59) OPRM1HTR2APOLBCCR5SIGMAR1
SCHEMBL340406 0.82 HTR2A (0.61) OPRM1HTR2APOLBCCR5SIGMAR1
SCHEMBL341909 0.82 OPRM1 (0.63) OPRM1HTR2APOLBCCR5SIGMAR1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP claimed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP claimed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US claimed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US claimed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US claimed
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 US disclosed
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 US disclosed
US-9296694-B2 Azacyclic compounds ACADIA PHARMACEUTICALS INC. (US) 2016-03-29 US disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US disclosed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN disclosed
EP-1263729-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Acadia Pharmaceuticals Inc. (US) 2002-12-11 EP disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US disclosed
WO-2001066521-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARMACEUTICALS, INC. (US) 2001-09-13 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 (5 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-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885HTR2A 10/4885POLB 1157/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885HTR2A 10/4885POLB 1157/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885HTR2A 1/4885POLB 1504/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT OPRM1 210/4885HTR2A 10/4885POLB 1157/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B OPRM1 193/4885HTR2A 1/4885POLB 3773/4885

“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.