SCHEMBL4208271

SCHEMBL4208271

Cc1ccc(CNC2CCN(C(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.55
ACHE P22303 4/20 0.52
BACE1 P56817 4/20 0.52
PHGDH O43175 1/20 0.48
BCHE P06276 3/20 0.47
KDM1A O60341 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
EPHX1 P07099 2/20 0.44
DRD4 P21917 2/20 0.44
EPHX2 P34913 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL3652318 0.88 TEAD1 (0.56) TEAD1ACHEBACE1BCHEKDM1A
SCHEMBL4213324 0.87 TEAD1 (0.55) TEAD1ACHEBACE1BCHEKDM1A
SCHEMBL10285543 0.82 TEAD1 (0.50) TEAD1ACHEBACE1PHGDHBCHE
SCHEMBL2793493 0.80 GPR119 (0.57) ACHEBACE1MEN1KMT2AEPHX1
SCHEMBL2793943 0.78 TEAD1 (0.47) TEAD1KDM1AMEN1KMT2APOLB
SCHEMBL4202912 0.75 ACHE (0.64) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL20794854 0.75 GPR119 (0.52) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL4220287 0.75 ACHE (0.59) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL20705482 0.75 RAB9A (0.50) KDM1A
SCHEMBL2731922 0.74 ACHE (0.61) ACHEBACE1BCHEMEN1KMT2A

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 22 patents — showing the first 20. 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
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO 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 (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 TEAD1 3180/4885ACHE 514/4885BACE1 2560/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B TEAD1 4700/4885ACHE 601/4885BACE1 2958/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT TEAD1 2959/4885ACHE 662/4885BACE1 3013/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT TEAD1 2959/4885ACHE 662/4885BACE1 3013/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT TEAD1 3180/4885ACHE 514/4885BACE1 2560/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT TEAD1 3180/4885ACHE 514/4885BACE1 2560/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A TEAD1 1322/4885ACHE 1902/4885BACE1 3135/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT TEAD1 3180/4885ACHE 514/4885BACE1 2560/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B TEAD1 4700/4885ACHE 601/4885BACE1 2958/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT TEAD1 3180/4885ACHE 514/4885BACE1 2560/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B TEAD1 3711/4885ACHE 740/4885BACE1 3517/4885

“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.