SCHEMBL2965069

SCHEMBL2965069

O=C(O)C1(CN2CCN(c3noc4ccsc34)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.41
HTR2A P28223 9/20 0.40
DRD2 P14416 3/20 0.33
HTR7 P34969 3/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR6 P50406 1/20 0.33
KDM1A O60341 1/20 0.31

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
SCHEMBL2734418 0.79 DRD2 (0.53) HRH1HTR2ADRD2HTR7DRD4
SCHEMBL6360107 0.76 DRD2 (0.44) HTR2ADRD2HTR7DRD4SIGMAR1
SCHEMBL2965067 0.76 PDCD1 (0.33) HRH1HTR2ADRD2HTR7DRD4
SCHEMBL2734417 0.76 HTR2A (0.55) HRH1HTR2ADRD2HTR7HTR6
SCHEMBL5016902 0.69 DRD2 (0.41) HTR2ADRD2
SCHEMBL2734699 0.68 DRD2 (0.56) HTR2ADRD2HTR7DRD4SIGMAR1
SCHEMBL5327581 0.67 HRH1 (0.44) HRH1HTR2AKDM1A
SCHEMBL3053061 0.66 HRH1 (0.35) HRH1HTR2ADRD4HTR6KDM1A
SCHEMBL2961750 0.65 HRH1 (0.43) HRH1HTR2A
SCHEMBL84564 0.64 DRD2 (0.52) HTR2ADRD2HTR7

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US claimed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP claimed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US claimed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP claimed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US claimed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
EP-1935887-B1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA INC (US) 2010-01-13 EP disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
EP-1632483-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed
EP-1362039-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2005-12-21 EP disclosed
US-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor AVENTIS PHARMACEUTICAL INC. (US) 2004-11-04 US disclosed
EP-1362039-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS Aventis Pharmaceuticals, Inc. (US) 2003-11-19 EP disclosed
WO-2002066446-A1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMACEUTICALS INC. (US) 2002-08-29 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 (3 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-20040220173-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor DRD3, DRD2, DRD1 HRH1 222/4885HTR2A 44/4885DRD2 2/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C HRH1 250/4885HTR2A 54/4885DRD2 2/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C HRH1 227/4885HTR2A 52/4885DRD2 2/4885

“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.