SCHEMBL13200856

SCHEMBL13200856

CC1CCC(NC(=O)[C@H]2CC2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.44
DRD2 P14416 5/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 4/20 0.43
CA2 P00918 2/20 0.40
FPR2 P25090 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
DEGS1 O15121 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
EPHX2 P34913 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL2968368 1.00 PTGES (0.44) PTGESDRD2DRD4DRD3CA2
SCHEMBL2968370 1.00 PTGES (0.44) PTGESDRD2DRD4DRD3CA2
SCHEMBL13888228 1.00 PTGES (0.44) PTGESDRD2DRD4DRD3CA2
SCHEMBL14186108 0.91 EPHX2 (0.47) PTGESDRD2DRD4DRD3CA2
SCHEMBL2967947 0.90 DRD2 (0.46) PTGESDRD2DRD4DRD3
SCHEMBL2967948 0.90 DRD2 (0.46) PTGESDRD2DRD4DRD3
SCHEMBL13888287 0.90 DRD2 (0.46) PTGESDRD2DRD4DRD3
SCHEMBL13200860 0.90 DRD2 (0.46) PTGESDRD2DRD4DRD3
SCHEMBL13868719 0.89 DRD2 (0.43) DRD2DRD4DRD3
SCHEMBL13220767 0.81 DRD4 (0.36) DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US 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-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 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
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C PTGES 2890/4885DRD2 2/4885DRD4 9/4885

“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.