SCHEMBL4214710

SCHEMBL4214710

Cc1ccccc1CNC1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
BACE1 P56817 5/20 0.46
BCHE P06276 3/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
CXCR4 P61073 1/20 0.42
CYP2A13 Q16696 1/20 0.41
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL2466537 0.86 ACHE (0.47) ACHEKMT2AMEN1POLBBACE1
Hydrochloric Acid SCHEMBL12813545 0.84 KMT2A (0.49) ACHEKMT2AMEN1POLBBACE1
SCHEMBL23571578 0.83 ACHE (0.44) ACHEKMT2AMEN1POLBBACE1
SCHEMBL531088 0.83 KDM4E (0.51) ACHEKMT2AMEN1HRH3
SCHEMBL12061485 0.83 GAA (0.52) ACHEKMT2AMEN1POLBBACE1
SCHEMBL1197934 0.83 BCHE (0.50) ACHEKMT2AMEN1POLBBACE1
Hydrochloric Acid SCHEMBL11781117 0.81 HTT (0.50) KMT2AMEN1POLB
SCHEMBL9346814 0.81 KDM4E (0.53) KMT2AMEN1HRH3
SCHEMBL5013647 0.81 ACHE (0.43) ACHEPOLBBACE1BCHEADRB2
SCHEMBL15026727 0.81 ACHE (0.71) ACHEKMT2AMEN1POLBBACE1

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 18 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
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 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 (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 ACHE 514/4885KMT2A 958/4885MEN1 570/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B ACHE 601/4885KMT2A 1969/4885MEN1 1617/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT ACHE 662/4885KMT2A 1270/4885MEN1 710/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT ACHE 662/4885KMT2A 1270/4885MEN1 710/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT ACHE 514/4885KMT2A 958/4885MEN1 570/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT ACHE 514/4885KMT2A 958/4885MEN1 570/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A ACHE 1902/4885KMT2A 710/4885MEN1 4694/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT ACHE 514/4885KMT2A 958/4885MEN1 570/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B ACHE 601/4885KMT2A 1969/4885MEN1 1617/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT ACHE 514/4885KMT2A 958/4885MEN1 570/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B ACHE 740/4885KMT2A 1361/4885MEN1 2340/4885

“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.