SCHEMBL4719945

SCHEMBL4719945

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)ccc(F)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.42
MAPKAPK2 P49137 1/20 0.39
PSEN1 P49768 6/20 0.39
PSEN2 P49810 6/20 0.39
APH1B Q8WW43 6/20 0.39
NCSTN Q92542 6/20 0.39
APH1A Q96BI3 6/20 0.39
PSENEN Q9NZ42 6/20 0.39
SYK P43405 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP2D6 P10635 5/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.37
KIF11 P52732 2/20 0.36
ABL1 P00519 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL4716003 0.86 MAPK10 (0.38) MAPK10MAPKAPK2PSEN1PSEN2APH1B
SCHEMBL4715954 0.85 PSEN1 (0.39) MAPK10MAPKAPK2PSEN1PSEN2APH1B
SCHEMBL4719799 0.84 SYK (0.40) MAPK10PSEN1PSEN2APH1BNCSTN
SCHEMBL4715948 0.84 TRPV1 (0.53) TRPV1CYP2D6MAPK1CYP3A4ABL1
SCHEMBL4717911 0.83 TRPV1 (0.48) MAPK10MAPKAPK2PSEN1PSEN2APH1B
SCHEMBL4715516 0.82 PSEN1 (0.42) MAPK10MAPKAPK2PSEN1PSEN2APH1B
SCHEMBL4717881 0.76 MAPT (0.53) MAPK10MAPKAPK2TRPV1
SCHEMBL4823991 0.75 PIK3CA (0.41) MAPK10MAPKAPK2SYKKIF11ABL1
SCHEMBL4717889 0.74 MAPK10 (0.51) MAPK10MAPKAPK2PSEN1PSEN2APH1B
SCHEMBL4719546 0.72 MAPKAPK2 (0.41) MAPK10MAPKAPK2SYKTRPV1MAPK1

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 MAPK10 3522/4885MAPKAPK2 3284/4885PSEN1 4099/4885

“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.