SCHEMBL339549

SCHEMBL339549

Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.46
HTR2A P28223 5/20 0.45
CCR5 P51681 4/20 0.45
KCNH2 Q12809 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
AGER Q15109 1/20 0.43
OPRM1 P35372 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR1 P32246 2/20 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
SCHEMBL341396 0.98 SIGMAR1 (0.48) POLBSIGMAR1HTR2ACCR5KCNH2
SCHEMBL339397 0.87 HTR2A (0.59) POLBSIGMAR1HTR2ACCR5KCNH2
SCHEMBL341691 0.86 HTR2A (0.57) HTR2ACNR1CNR2
SCHEMBL3706501 0.86 HTR2A (0.57) HTR2ACNR1CNR2
SCHEMBL341502 0.86 HTR2A (0.49) POLBSIGMAR1HTR2ACCR5OPRM1
SCHEMBL341792 0.85 OPRM1 (0.53) HTR2ACCR5KCNH2CNR1CNR2
SCHEMBL341133 0.85 HTR2A (0.59) POLBSIGMAR1HTR2ACCR5OPRM1
SCHEMBL341782 0.84 HTR2A (0.58) POLBSIGMAR1HTR2ACCR5OPRM1
SCHEMBL341545 0.83 HTR2A (0.50) HTR2ACCR5CNR1CNR2
SCHEMBL339708 0.83 HTR2A (0.54) HTR2ACCR5AGEROPRM1

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 49 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
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 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
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US 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
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US 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-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP 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 POLB 1157/4885SIGMAR1 295/4885HTR2A 10/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT POLB 1157/4885SIGMAR1 295/4885HTR2A 10/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT POLB 1157/4885SIGMAR1 295/4885HTR2A 10/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B POLB 1504/4885SIGMAR1 208/4885HTR2A 1/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B POLB 3773/4885SIGMAR1 125/4885HTR2A 1/4885

“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.