SCHEMBL339708

SCHEMBL339708

Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C2CCN(C)CC2)cc1.Cc1ccc(CN(C(=O)Cc2ccccc2)C2CCN(C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.54
OPRM1 P35372 6/20 0.53
CCR5 P51681 2/20 0.50
TMEM97 Q5BJF2 1/20 0.48
PKM P14618 1/20 0.48
AGER Q15109 1/20 0.48

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
SCHEMBL341691 0.96 HTR2A (0.57) HTR2A
SCHEMBL3706501 0.96 HTR2A (0.57) HTR2A
SCHEMBL3703032 0.94 HTR2A (0.57) HTR2AOPRM1CCR5TMEM97PKM
SCHEMBL4911920 0.90 HTR2A (0.62) HTR2A
Hydrochloric Acid SCHEMBL4212243 0.89 HTR2A (0.61) HTR2A
SCHEMBL20780538 0.89 OPRM1 (0.62) HTR2AOPRM1TMEM97PKM
SCHEMBL341792 0.85 OPRM1 (0.53) HTR2AOPRM1CCR5TMEM97
SCHEMBL339882 0.85 HTR2A (0.57) HTR2A
SCHEMBL342055 0.85 CCR5 (0.51) HTR2AOPRM1CCR5TMEM97
SCHEMBL4915049 0.84 HTR2A (0.54) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 US claimed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed
JP-2003531829-A 2003-10-28 JP 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-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 US disclosed
US-20150259291-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS INC. 2015-09-17 US disclosed
US-8097625-B2 Combination of sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression SUNOVION PHARMACEUTICALS INC. (US) 2012-01-17 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-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
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 (7 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 HTR2A 10/4885OPRM1 210/4885CCR5 935/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B HTR2A 1/4885OPRM1 73/4885CCR5 1962/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885OPRM1 210/4885CCR5 935/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885OPRM1 210/4885CCR5 935/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT HTR2A 10/4885OPRM1 210/4885CCR5 935/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B HTR2A 1/4885OPRM1 73/4885CCR5 1962/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT HTR2A 10/4885OPRM1 210/4885CCR5 935/4885

“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.