SCHEMBL342885

SCHEMBL342885

CN1CCC(N(CCc2ccccc2)C(=O)Nc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
OPRM1 P35372 2/20 0.56
UBE2M P61081 15/20 0.53
DCUN1D1 Q96GG9 15/20 0.53
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CCR5 P51681 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
SCHEMBL340688 0.93 PKM (0.57) PKMOPRM1UBE2MDCUN1D1
SCHEMBL341621 0.85 PKM (0.65) PKMOPRM1KDM4ECCR5
SCHEMBL340512 0.85 PKM (0.65) PKMOPRM1CCR5
SCHEMBL341274 0.81 UBE2M (0.65) UBE2MDCUN1D1CCR5
SCHEMBL341620 0.79 PKM (0.57) PKMOPRM1CCR5
SCHEMBL13434168 0.76 UBE2M (0.55) UBE2MDCUN1D1KDM4EPOLBCCR5
SCHEMBL19027677 0.74 OPRM1 (0.54) PKMOPRM1UBE2MDCUN1D1
SCHEMBL6315922 0.74 OPRM1 (0.54) PKMOPRM1UBE2MDCUN1D1
SCHEMBL4922736 0.74 PKM (0.65) PKMOPRM1CCR5
SCHEMBL7471078 0.73 FAAH (0.60) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US 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 (6 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 PKM 3533/4885OPRM1 210/4885UBE2M 3969/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT PKM 3533/4885OPRM1 210/4885UBE2M 3969/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT PKM 3533/4885OPRM1 210/4885UBE2M 3969/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B PKM 3174/4885OPRM1 73/4885UBE2M 4673/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT PKM 3533/4885OPRM1 210/4885UBE2M 3969/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B PKM 3137/4885OPRM1 193/4885UBE2M 4202/4885

“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.