SCHEMBL340512

SCHEMBL340512

CN1CCC(N(CCc2ccccc2)C(=O)NCc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
CCR5 P51681 8/20 0.57
OPRM1 P35372 5/20 0.56
HTR2A P28223 7/20 0.51
HTR2C P28335 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
GPR183 P32249 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
APLNR P35414 1/20 0.49
DRD3 P35462 1/20 0.49
CX3CR1 P49238 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL341620 0.93 PKM (0.57) PKMCCR5OPRM1HTR2AHTR2C
SCHEMBL341621 0.90 PKM (0.65) PKMCCR5OPRM1CHRM1CYP2C19
SCHEMBL342885 0.85 PKM (0.65) PKMCCR5OPRM1
SCHEMBL340169 0.82 HTR2A (0.59) PKMCCR5OPRM1HTR2AHTR2C
SCHEMBL5329449 0.82 HTR2A (0.59) PKMCCR5OPRM1HTR2AHTR2C
SCHEMBL4979867 0.82 CCR5 (0.71) PKMCCR5OPRM1HTR2AHTR2C
SCHEMBL6315922 0.79 OPRM1 (0.54) PKMOPRM1
SCHEMBL340688 0.79 PKM (0.57) PKMOPRM1
SCHEMBL342508 0.76 OPRM1 (0.56) PKMOPRM1HTR2AHTR2CABCB11
SCHEMBL31202728 0.76 HTR2A (0.84) OPRM1HTR2AHTR2CABCB11CYP1A2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-4664564-B2 2011-04-06 JP claimed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 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-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
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 (6 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 PKM 3533/4885CCR5 935/4885OPRM1 210/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT PKM 3533/4885CCR5 935/4885OPRM1 210/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT PKM 3533/4885CCR5 935/4885OPRM1 210/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B PKM 3174/4885CCR5 1962/4885OPRM1 73/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT PKM 3533/4885CCR5 935/4885OPRM1 210/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B PKM 3137/4885CCR5 2762/4885OPRM1 193/4885

“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.