SCHEMBL4205489

SCHEMBL4205489

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52
POLB P06746 1/20 0.51
HTR2A P28223 15/20 0.50
OPRM1 P35372 1/20 0.48
C5AR1 P21730 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
SCHEMBL4207733 0.91 HTR2A (0.57) UBE2MDCUN1D1POLBHTR2AOPRM1
SCHEMBL4213067 0.89 HTR2A (0.46) POLBHTR2AOPRM1
SCHEMBL4208529 0.86 HTR2A (0.62) UBE2MDCUN1D1HTR2AOPRM1
SCHEMBL342052 0.85 OPRM1 (0.59) UBE2MDCUN1D1POLBHTR2AOPRM1
SCHEMBL341285 0.83 HTR2A (0.55) UBE2MDCUN1D1POLBHTR2AOPRM1
SCHEMBL341502 0.82 HTR2A (0.49) UBE2MDCUN1D1POLBHTR2AOPRM1
SCHEMBL341681 0.80 TACR1 (0.49) UBE2MDCUN1D1POLBHTR2AOPRM1
SCHEMBL1646818 0.80 HTR2A (0.68) POLBHTR2AOPRM1
SCHEMBL340298 0.80 HTR2A (0.64) HTR2AOPRM1
SCHEMBL341838 0.80 HTR2A (0.64) HTR2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150259291-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS INC. 2015-09-17 US disclosed
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2011-12-08 US disclosed
US-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20060194834-A1 Azacyclic compounds ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US disclosed
US-6756393-B2 AMIDES AND UREAS N-SUBSTITUTED WITH PIPERIDINE OR NORTROPANE; SEROTONIN INVERSE AGONISTS OR ANTAGONISTS; ANTIPSYCHOTIC ACADIA PHARMACEUTICALS, INC. 2004-06-29 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 (11 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-20150259291-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT UBE2M 3969/4885DCUN1D1 3664/4885POLB 1157/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B UBE2M 4673/4885DCUN1D1 4348/4885POLB 1504/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT UBE2M 4405/4885DCUN1D1 3076/4885POLB 614/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT UBE2M 4405/4885DCUN1D1 3076/4885POLB 614/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT UBE2M 3969/4885DCUN1D1 3664/4885POLB 1157/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT UBE2M 3969/4885DCUN1D1 3664/4885POLB 1157/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A UBE2M 4497/4885DCUN1D1 3106/4885POLB 4145/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT UBE2M 3969/4885DCUN1D1 3664/4885POLB 1157/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B UBE2M 4673/4885DCUN1D1 4348/4885POLB 1504/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT UBE2M 3969/4885DCUN1D1 3664/4885POLB 1157/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B UBE2M 4202/4885DCUN1D1 3403/4885POLB 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.