SCHEMBL4719799

SCHEMBL4719799

Cc1cc2c(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)c(F)ccc2cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
CYP2D6 P10635 2/20 0.38
TRPV1 Q8NER1 12/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MAPK10 P53779 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL4715618 0.86 CDK2 (0.35) TRPV1
SCHEMBL4715954 0.86 PSEN1 (0.39) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL4716125 0.85 TRPV1 (0.53) TRPV1ABL1BCR
SCHEMBL4719945 0.84 MAPK10 (0.42) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL4717973 0.82 TRPV1 (0.40) SYKTRPV1ABL1BCR
SCHEMBL4827208 0.82 KIT (0.42) SYKABL1BCR
SCHEMBL4717911 0.82 TRPV1 (0.48) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL4715516 0.81 PSEN1 (0.42) SYKPSEN1PSEN2APH1BNCSTN
SCHEMBL4823991 0.81 PIK3CA (0.41) SYKABL1BCRMAPK10
SCHEMBL4718519 0.73 ALDH1A1 (0.40) CYP2D6TRPV1

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 3 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

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 SYK 2522/4885PSEN1 4099/4885PSEN2 3639/4885

“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.