SCHEMBL341179

SCHEMBL341179

Cc1ccc(CN(C(=O)NCc2ccccc2)C2CCN(CC(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.55
SLC2A1 P11166 2/20 0.55
UBE2M P61081 3/20 0.54
DCUN1D1 Q96GG9 3/20 0.54
HTR2A P28223 6/20 0.52
OPRM1 P35372 2/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
GPR183 P32249 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
APLNR P35414 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL4211121 0.89 OPRM1 (0.61) CCR5SLC2A1UBE2MDCUN1D1OPRM1
SCHEMBL7091708 0.89 OPRM1 (0.61) CCR5SLC2A1UBE2MDCUN1D1OPRM1
Hydrochloric Acid SCHEMBL4207721 0.88 OPRM1 (0.60) CCR5SLC2A1UBE2MDCUN1D1OPRM1
Oxalic Acid SCHEMBL4208908 0.87 OPRM1 (0.59) CCR5SLC2A1UBE2MDCUN1D1OPRM1
SCHEMBL340169 0.86 HTR2A (0.59) CCR5UBE2MDCUN1D1HTR2AOPRM1
SCHEMBL5329449 0.86 HTR2A (0.59) CCR5UBE2MDCUN1D1HTR2AOPRM1
SCHEMBL340505 0.84 ACHE (0.55) CCR5SLC2A1UBE2MDCUN1D1OPRM1
SCHEMBL3707074 0.84 ACHE (0.55) CCR5SLC2A1UBE2MDCUN1D1OPRM1
SCHEMBL340490 0.84 UBE2M (0.61) SLC2A1UBE2MDCUN1D1HTR2AOPRM1
SCHEMBL4210276 0.84 UBE2M (0.58) CCR5SLC2A1UBE2MDCUN1D1OPRM1

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 46 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
JP-4664564-B2 2011-04-06 JP claimed
US-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 US 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
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 (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-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT CCR5 1069/4885SLC2A1 3419/4885UBE2M 4405/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT CCR5 935/4885SLC2A1 1598/4885UBE2M 3969/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT CCR5 935/4885SLC2A1 1598/4885UBE2M 3969/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT CCR5 935/4885SLC2A1 1598/4885UBE2M 3969/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B CCR5 2762/4885SLC2A1 1672/4885UBE2M 4202/4885

“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.