SCHEMBL339985

SCHEMBL339985

COc1ccc(CC(=O)N(CC=Cc2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.58
HTR2A P28223 4/20 0.58
HTR2C P28335 4/20 0.58
HTR2B P41595 4/20 0.58
CHRM2 P08172 2/20 0.53
CHRM3 P20309 2/20 0.53
DRD2 P14416 2/20 0.52
OPRM1 P35372 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CCR5 P51681 3/20 0.50
KCNH2 Q12809 1/20 0.49
NPY2R P49146 2/20 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
SCHEMBL339984 1.00 SIGMAR1 (0.58) SIGMAR1HTR2AHTR2CHTR2BCHRM2
SCHEMBL4220408 0.82 OPRM1 (0.63) SIGMAR1HTR2ACHRM2CHRM3OPRM1
Hydrochloric Acid SCHEMBL4920052 0.81 OPRM1 (0.62) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL5862792 0.81 KCNH2 (0.72) SIGMAR1CHRM2CHRM3ACHECCR5
Oxalic Acid SCHEMBL4217435 0.80 OPRM1 (0.61) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL339807 0.77 HTR2A (0.61) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL342820 0.76 OPRM1 (0.59) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL22426263 0.76 OPRM1 (0.59) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL5083771 0.76 OPRM1 (0.69) SIGMAR1HTR2ACHRM2CHRM3OPRM1
SCHEMBL9995041 0.76 OPRM1 (0.55) SIGMAR1HTR2ACHRM2CHRM3OPRM1

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 45 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
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-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
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN 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-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 (5 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 SIGMAR1 295/4885HTR2A 10/4885HTR2C 7/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT SIGMAR1 295/4885HTR2A 10/4885HTR2C 7/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT SIGMAR1 295/4885HTR2A 10/4885HTR2C 7/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B SIGMAR1 208/4885HTR2A 1/4885HTR2C 4/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B SIGMAR1 125/4885HTR2A 1/4885HTR2C 7/4885

“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.