SCHEMBL341319

SCHEMBL341319

COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 11/20 0.54
SLC6A3 Q01959 5/20 0.54
OPRM1 P35372 2/20 0.53
HTR2A P28223 4/20 0.48
DRD2 P14416 2/20 0.47
ADRA2B P18089 2/20 0.47
DRD3 P35462 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
HTR1D P28221 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
Hydrochloric Acid SCHEMBL10321482 0.99 SLC18A2 (0.54) SLC18A2SLC6A3OPRM1HTR2ADRD2
SCHEMBL368297 0.86 OPRM1 (0.53) OPRM1HTR2ALMNAHTR1AHTR7
Hydrochloric Acid SCHEMBL10321888 0.85 OPRM1 (0.53) OPRM1HTR2ALMNAHTR1AHTR7
SCHEMBL342091 0.85 HTR2A (0.54) SLC18A2SLC6A3OPRM1HTR2ADRD2
Hydrochloric Acid SCHEMBL10323210 0.84 HTR2A (0.53) SLC18A2SLC6A3OPRM1HTR2ADRD2
SCHEMBL342657 0.81 OPRM1 (0.57) OPRM1HTR2ADRD2ADRA2BDRD3
Hydrochloric Acid SCHEMBL4206400 0.81 OPRM1 (0.77) OPRM1HTR2A
SCHEMBL341699 0.80 HTR2A (0.59) OPRM1HTR2AALDH1A1SIGMAR1
SCHEMBL4220408 0.80 OPRM1 (0.63) OPRM1HTR2AMEN1KMT2AKCNH2
SCHEMBL341909 0.79 OPRM1 (0.63) OPRM1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP claimed
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
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US 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-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US claimed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US claimed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US claimed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US claimed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US claimed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 WO claimed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed
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
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 WO disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 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 (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-20150259291-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT SLC18A2 65/4885SLC6A3 177/4885OPRM1 210/4885
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC18A2 8/4885SLC6A3 20/4885OPRM1 40/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT SLC18A2 65/4885SLC6A3 177/4885OPRM1 210/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC18A2 13/4885SLC6A3 21/4885OPRM1 40/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT SLC18A2 65/4885SLC6A3 177/4885OPRM1 210/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B SLC18A2 108/4885SLC6A3 95/4885OPRM1 193/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC18A2 13/4885SLC6A3 21/4885OPRM1 40/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B SLC18A2 13/4885SLC6A3 21/4885OPRM1 40/4885

“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.