SCHEMBL2372230

SCHEMBL2372230

COc1cccc(/C=C/c2nc3sccn3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.41
HCRTR2 O43614 20/20 0.41
CYP3A4 P08684 2/20 0.33

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
SCHEMBL636245 1.00 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL636284 0.97 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL636510 0.96 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL636524 0.95 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL636253 0.94 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL6032767 0.93 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL4399942 0.93 PDE10A (0.35) HCRTR1HCRTR2
SCHEMBL637328 0.93 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL636539 0.93 PDE10A (0.35) HCRTR1HCRTR2
SCHEMBL637298 0.92 HCRTR1 (0.37) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203778-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-08 US claimed
EP-2549998-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE Glenmark Pharmaceuticals S.A. (CH) 2013-01-30 EP claimed
WO-2011117711-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-29 WO claimed
US-20130203778-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-08 US disclosed
EP-2549998-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE Glenmark Pharmaceuticals S.A. (CH) 2013-01-30 EP disclosed
WO-2011117711-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-29 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 (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-20130203778-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRIMIDINEONE DERIVATIVE GPR17, P2RY2, ABCG2 HCRTR1 2154/4885HCRTR2 1097/4885CYP3A4 474/4885

“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.