SCHEMBL341133

SCHEMBL341133

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.59
POLB P06746 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
OPRM1 P35372 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR5 P51681 3/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
CCR3 P51677 2/20 0.44
GFER P55789 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 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
SCHEMBL341782 0.99 HTR2A (0.58) HTR2APOLBSIGMAR1OPRM1HRH3
SCHEMBL339397 0.98 HTR2A (0.59) HTR2APOLBSIGMAR1OPRM1HRH3
SCHEMBL341234 0.96 HTR2A (0.61) HTR2APOLBSIGMAR1OPRM1HRH3
SCHEMBL341502 0.91 HTR2A (0.49) HTR2APOLBSIGMAR1OPRM1HRH3
SCHEMBL341396 0.87 SIGMAR1 (0.48) HTR2APOLBSIGMAR1OPRM1ALDH1A1
SCHEMBL341145 0.87 HTR2A (0.76) HTR2APOLBOPRM1
Hydrochloric Acid SCHEMBL4206397 0.86 HTR2A (0.74) HTR2APOLBOPRM1
SCHEMBL340597 0.86 HTR2A (0.62) HTR2APOLBOPRM1CCR5UBE2M
SCHEMBL341148 0.86 HTR2A (0.57) HTR2APOLBSIGMAR1OPRM1HRH3
SCHEMBL339807 0.85 HTR2A (0.61) HTR2APOLBSIGMAR1OPRM1HRH3

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 50 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
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 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
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
JP-4664564-B2 2011-04-06 JP 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-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 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
JP-2003531829-A 2003-10-28 JP claimed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN claimed
EP-1263729-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Acadia Pharmaceuticals Inc. (US) 2002-12-11 EP claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US claimed
WO-2001066521-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARMACEUTICALS, INC. (US) 2001-09-13 WO claimed
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 US 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 (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-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885POLB 1157/4885SIGMAR1 295/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885POLB 1157/4885SIGMAR1 295/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885POLB 1157/4885SIGMAR1 295/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B HTR2A 1/4885POLB 3773/4885SIGMAR1 125/4885

“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.