SCHEMBL342820

SCHEMBL342820

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.59
SIGMAR1 Q99720 1/20 0.54
CCR5 P51681 3/20 0.53
HTR2A P28223 1/20 0.52
CHRM2 P08172 3/20 0.52
CHRM3 P20309 3/20 0.52
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47

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
SCHEMBL22426263 1.00 OPRM1 (0.59) OPRM1SIGMAR1CCR5HTR2ACHRM2
SCHEMBL4220408 0.94 OPRM1 (0.63) OPRM1SIGMAR1CCR5HTR2ACHRM2
Hydrochloric Acid SCHEMBL4920052 0.93 OPRM1 (0.62) OPRM1SIGMAR1CCR5HTR2ACHRM2
Oxalic Acid SCHEMBL4217435 0.92 OPRM1 (0.61) OPRM1SIGMAR1CCR5HTR2ACHRM2
SCHEMBL339807 0.90 HTR2A (0.61) OPRM1SIGMAR1CCR5HTR2ACHRM2
SCHEMBL9995041 0.88 OPRM1 (0.55) OPRM1SIGMAR1CCR5HTR2ACHRM2
SCHEMBL341425 0.86 HTR2A (0.57) OPRM1SIGMAR1CCR5HTR2ACHRM2
Hydrochloric Acid SCHEMBL4206400 0.86 OPRM1 (0.77) OPRM1CCR5HTR2A
SCHEMBL340597 0.85 HTR2A (0.62) OPRM1CCR5HTR2APOLBUBE2M
SCHEMBL4207777 0.85 OPRM1 (0.67) OPRM1SIGMAR1HTR2ACHRM2CHRM3

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 43 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
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-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US claimed
US-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES NORTHWESTERN UNIVERSITY 2021-01-07 US disclosed
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2020-09-22 US disclosed
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-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 (8 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 OPRM1 210/4885SIGMAR1 295/4885CCR5 935/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885CCR5 935/4885
US-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles AADAC, COASY, PAICS OPRM1 1459/4885SIGMAR1 2563/4885CCR5 3037/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT OPRM1 210/4885SIGMAR1 295/4885CCR5 935/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B OPRM1 73/4885SIGMAR1 208/4885CCR5 1962/4885
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles AADAC, COASY, PAICS OPRM1 1618/4885SIGMAR1 2723/4885CCR5 3276/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B OPRM1 193/4885SIGMAR1 125/4885CCR5 2762/4885
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES COASY, AADAC, AOC1 OPRM1 1258/4885SIGMAR1 2141/4885CCR5 2565/4885

“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.