SCHEMBL4214716

SCHEMBL4214716

CC(NC1CCN(C)CC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MC4R P32245 1/20 0.51
CYP2D6 P10635 3/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
CHRM1 P11229 2/20 0.50
DRD1 P21728 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
HTR1A P08908 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAPK1 P28482 1/20 0.49
CHRM3 P20309 4/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49

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
SCHEMBL27818229 0.85 GAA (0.85) GAAL3MBTL1CYP2D6CHRM2ADRA2A
SCHEMBL664938 0.85 GAA (0.85) GAAL3MBTL1CYP2D6CHRM2ADRA2A
SCHEMBL15520799 0.82 GAA (0.63) GAAL3MBTL1KCNH2HRH3
SCHEMBL3668041 0.82 GAA (1.00) GAAL3MBTL1CYP2D6CHRM2ADRA2A
SCHEMBL5987343 0.82 GAA (0.46) GAAL3MBTL1MC4ROPRM1SLC6A3
SCHEMBL4220278 0.82 GAA (0.46) GAAL3MBTL1OPRM1SLC6A2ADORA3
SCHEMBL6103498 0.81 L3MBTL1 (0.66) GAAL3MBTL1CYP2D6CHRM2CHRM1
SCHEMBL5271719 0.81 ACHE (0.57) GAAL3MBTL1CYP2D6CHRM3HTR2A
SCHEMBL5274048 0.81 ACHE (0.57) GAAL3MBTL1CYP2D6CHRM3HTR2A
SCHEMBL21104687 0.80 GAA (0.96) GAAL3MBTL1MEN1POLBKMT2A

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-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 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
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 (11 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 GAA 849/4885L3MBTL1 3558/4885MC4R 220/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B GAA 1298/4885L3MBTL1 3458/4885MC4R 125/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT GAA 566/4885L3MBTL1 3611/4885MC4R 234/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT GAA 566/4885L3MBTL1 3611/4885MC4R 234/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT GAA 849/4885L3MBTL1 3558/4885MC4R 220/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT GAA 849/4885L3MBTL1 3558/4885MC4R 220/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A GAA 4559/4885L3MBTL1 3358/4885MC4R 864/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT GAA 849/4885L3MBTL1 3558/4885MC4R 220/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B GAA 1298/4885L3MBTL1 3458/4885MC4R 125/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT GAA 849/4885L3MBTL1 3558/4885MC4R 220/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B GAA 1406/4885L3MBTL1 1408/4885MC4R 242/4885

“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.