SCHEMBL4925922

SCHEMBL4925922

COc1ccc(C(C2CCN(Cc3ccccc3)CC2)N(Cc2ccc(C)cc2)C(C)=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
POLB P06746 1/20 0.45
ACHE P22303 3/20 0.44
KDM4E B2RXH2 1/20 0.44
BACE1 P56817 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL493660 0.77 SIGMAR1 (0.58) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4212521 0.75 SIGMAR1 (0.53) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL30516676 0.74 SIGMAR1 (0.61) MEN1KMT2ASIGMAR1ACHEKDM4E
SCHEMBL27589305 0.74 OPRM1 (0.56) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4217440 0.72 OPRM1 (0.52) MEN1KMT2ASIGMAR1MCHR1HRH3
SCHEMBL10834365 0.72 SIGMAR1 (0.64) MEN1KMT2ASIGMAR1SMN1; SMN2ACHE
SCHEMBL4220408 0.71 OPRM1 (0.63) MEN1KMT2ASIGMAR1CHRM2CHRM3
Hydrochloric Acid SCHEMBL4920052 0.70 OPRM1 (0.62) MEN1KMT2ASIGMAR1POLBCHRM2
Oxalic Acid SCHEMBL4217435 0.70 OPRM1 (0.61) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL4207777 0.70 OPRM1 (0.67) MEN1KMT2ASIGMAR1POLBCHRM2

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 20 patents. 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-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP 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 (10 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 MEN1 570/4885KMT2A 958/4885SIGMAR1 295/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B MEN1 1617/4885KMT2A 1969/4885SIGMAR1 208/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT MEN1 710/4885KMT2A 1270/4885SIGMAR1 376/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT MEN1 570/4885KMT2A 958/4885SIGMAR1 295/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT MEN1 570/4885KMT2A 958/4885SIGMAR1 295/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A MEN1 4694/4885KMT2A 710/4885SIGMAR1 220/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT MEN1 570/4885KMT2A 958/4885SIGMAR1 295/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B MEN1 1617/4885KMT2A 1969/4885SIGMAR1 208/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT MEN1 570/4885KMT2A 958/4885SIGMAR1 295/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B MEN1 2340/4885KMT2A 1361/4885SIGMAR1 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.