SCHEMBL340969

SCHEMBL340969

COc1ccc(CC(=O)N(CCCc2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
OPRM1 P35372 4/20 0.48
SIGMAR1 Q99720 1/20 0.48
C5AR1 P21730 1/20 0.46
MBTPS1 Q14703 1/20 0.45
KCNH2 Q12809 2/20 0.44
RPLP1 P05386 1/20 0.44
RPLP0 P05388 1/20 0.44
RPS17 P08708 1/20 0.44
RPSA P08865 1/20 0.44
RPS2 P15880 1/20 0.44
RPL35A P18077 1/20 0.44
RPL7 P18124 1/20 0.44
RPL17 P18621 1/20 0.44
RPS4Y1 P22090 1/20 0.44
RPS3 P23396 1/20 0.44
RPS12 P25398 1/20 0.44
RPL13 P26373 1/20 0.44
RPL10 P27635 1/20 0.44
RPL12 P30050 1/20 0.44

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
SCHEMBL341939 0.94 ALOX5 (0.60) ALOX5OPRM1SIGMAR1C5AR1MBTPS1
SCHEMBL4207728 0.86 OPRM1 (0.57) ALOX5OPRM1SIGMAR1C5AR1CCR5
SCHEMBL4912849 0.85 ALOX5 (0.52) ALOX5OPRM1C5AR1MBTPS1KCNH2
SCHEMBL4210498 0.83 MBTPS1 (0.59) ALOX5MBTPS1KCNH2SLC6A2SLC6A4
SCHEMBL18143029 0.81 OPRM1 (0.49) ALOX5OPRM1MBTPS1KCNH2SLC6A2
SCHEMBL11448021 0.81 CHRM3 (0.52) ALOX5OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL9678944 0.81 SLC6A4 (0.47) OPRM1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4205921 0.81 OPRM1 (0.49) ALOX5OPRM1SIGMAR1C5AR1ALDH1A1
SCHEMBL5036802 0.80 DCUN1D1 (0.47) ALOX5OPRM1KCNH2SLC6A2SLC6A4
SCHEMBL4922736 0.80 PKM (0.65) ALOX5OPRM1SIGMAR1C5AR1CCR5

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 47 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
CN-105636438-A Pharmaceutical composition comprising an AMPK activator and a serotonin active agent and uses thereof CHEN JIANHONG 2016-06-01 CN 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
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-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 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 (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 ALOX5 614/4885OPRM1 210/4885SIGMAR1 295/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT ALOX5 614/4885OPRM1 210/4885SIGMAR1 295/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT ALOX5 614/4885OPRM1 210/4885SIGMAR1 295/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B ALOX5 275/4885OPRM1 73/4885SIGMAR1 208/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B ALOX5 631/4885OPRM1 193/4885SIGMAR1 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.