SCHEMBL342168

SCHEMBL342168

CN1CCC(N(Cc2ccc(C(F)(F)F)cc2)C(=O)Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
HTR2A P28223 5/20 0.56
CCR5 P51681 2/20 0.55
OPRM1 P35372 6/20 0.53
TMEM97 Q5BJF2 2/20 0.53
GPR119 Q8TDV5 1/20 0.52
UBE2M P61081 2/20 0.51
DCUN1D1 Q96GG9 2/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL340470 0.95 HTR2A (0.60) KCNH2HTR2ACCR5GPR119
SCHEMBL342684 0.91 HTR2A (0.61) KCNH2HTR2AOPRM1TMEM97GPR119
SCHEMBL340598 0.91 HTR2A (0.61) KCNH2HTR2AOPRM1TMEM97GPR119
SCHEMBL20780538 0.91 OPRM1 (0.62) HTR2AOPRM1TMEM97PKM
SCHEMBL341871 0.88 OPRM1 (0.66) HTR2ACCR5OPRM1TMEM97
SCHEMBL340298 0.88 HTR2A (0.64) HTR2AOPRM1
SCHEMBL341838 0.88 HTR2A (0.64) HTR2AOPRM1
SCHEMBL3703032 0.87 HTR2A (0.57) HTR2ACCR5OPRM1TMEM97PKM
SCHEMBL342471 0.86 HTR2A (0.55) KCNH2HTR2ACCR5GPR119
SCHEMBL27712267 0.85 HTR2A (0.49) KCNH2HTR2AOPRM1TMEM97GPR119

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 50 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
CN-1443167-B Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC 2012-07-18 CN claimed
JP-4664564-B2 2011-04-06 JP claimed
CN-101230034-A Nitrogen hetero-cycle compounds for use in the treatment of 5-hydroxide tryptamines related diseases ACADIA PHARM INC (US) 2008-07-30 CN 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-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 (4 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 KCNH2 3301/4885HTR2A 10/4885CCR5 935/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT KCNH2 3301/4885HTR2A 10/4885CCR5 935/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT KCNH2 3301/4885HTR2A 10/4885CCR5 935/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B KCNH2 3913/4885HTR2A 1/4885CCR5 2762/4885

“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.