SCHEMBL4718644

SCHEMBL4718644

Cn1ncc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.44
MAPKAPK2 P49137 2/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
MAPK10 P53779 6/20 0.41
ABL1 P00519 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.38

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
SCHEMBL4716002 0.89 MAPKAPK2 (0.42) MAPKAPK2MAPK10ABL1BCDIN3D
SCHEMBL4719546 0.88 MAPKAPK2 (0.41) TRPV1MAPKAPK2MAPK10ABL1BCDIN3D
SCHEMBL4718707 0.85 TRPV1 (0.44) TRPV1RAF1BRAFMAPK10BCDIN3D
SCHEMBL4718655 0.84 TRPV1 (0.59) TRPV1RAF1BRAFABL1
SCHEMBL4715897 0.81 TRPV1 (0.44) TRPV1MAPKAPK2MAPK10
SCHEMBL4715985 0.81 MAPK10 (0.44) TRPV1MAPKAPK2MAPK10ABL1
SCHEMBL4717889 0.78 MAPK10 (0.51) TRPV1MAPKAPK2MAPK10ABL1
SCHEMBL4717911 0.77 TRPV1 (0.48) TRPV1MAPKAPK2MAPK10ABL1
SCHEMBL4716131 0.77 TRPV1 (0.62) TRPV1MAPK10
SCHEMBL4718620 0.77 TRPV1 (0.50) TRPV1MAPKAPK2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 TRPV1 40/4885MAPKAPK2 3284/4885RAF1 2712/4885

“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.