SCHEMBL4715440

SCHEMBL4715440

Cn1c(=O)ccc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)cnn3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.44
MAPK10 P53779 1/20 0.40
P2RX7 Q99572 2/20 0.38
KIF11 P52732 1/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4716112 0.87 MAPK10 (0.39) TRPV1MAPK10KIF11GRIN1GRIN2B
SCHEMBL4715897 0.85 TRPV1 (0.44) TRPV1MAPK10P2RX7KIF11
SCHEMBL4718707 0.82 TRPV1 (0.44) TRPV1MAPK10
SCHEMBL4715977 0.78 MAPK10 (0.43) TRPV1MAPK10
SCHEMBL4718506 0.75 MAPT (0.53) TRPV1MAPK10
SCHEMBL4719647 0.74 MAPK10 (0.52) TRPV1MAPK10
SCHEMBL4718629 0.74 MAPK10 (0.43) TRPV1MAPK10KIF11
SCHEMBL4716610 0.74 TRPV1 (0.45) TRPV1MAPK10
SCHEMBL4715945 0.74 KDM4E (0.39) TRPV1MAPK10
SCHEMBL4716536 0.74 TRPV1 (0.58) TRPV1

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 40/4885MAPK10 3522/4885P2RX7 378/4885

“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.