SCHEMBL4716002

SCHEMBL4716002

Cn1ncc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)cc(C(F)(F)F)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
ABL1 P00519 5/20 0.40
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK10 P53779 3/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37
SYK P43405 2/20 0.37
KIF11 P52732 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPK6 Q16659 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL4719546 0.92 MAPKAPK2 (0.41) MAPKAPK2ABL1KCNH2GRM2MAPK10
SCHEMBL4718644 0.89 TRPV1 (0.44) MAPKAPK2ABL1MAPK10BCDIN3D
SCHEMBL4715945 0.84 KDM4E (0.39) MAPKAPK2MAPK10BCDIN3D
SCHEMBL4717813 0.83 TRPV1 (0.51) ABL1
SCHEMBL4716781 0.78 NR3C1 (0.38) BCDIN3D
SCHEMBL4717900 0.78 TRPV1 (0.52) ABL1MAPK1
SCHEMBL4715516 0.76 PSEN1 (0.42) MAPKAPK2ABL1MAPK10SYKKIF11
SCHEMBL4718707 0.74 TRPV1 (0.44) MAPK10BCDIN3D
SCHEMBL4718655 0.73 TRPV1 (0.59) ABL1
SCHEMBL4715897 0.72 TRPV1 (0.44) MAPKAPK2MAPK10SYKKIF11

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 MAPKAPK2 3284/4885ABL1 3380/4885KCNH2 438/4885

“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.