SCHEMBL18014756

SCHEMBL18014756

C[C@@H](c1cccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.52
TRPV3 Q8NET8 9/20 0.50

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
SCHEMBL2609329 0.86 SCN9A (0.56) SCN9ATRPV3
SCHEMBL18014759 0.85 CTSS (0.52) SCN9ATRPV3
SCHEMBL18014758 0.81 HSD11B1 (0.39) SCN9ATRPV3
SCHEMBL27371992 0.80 SCN9A (0.56) SCN9ATRPV3
SCHEMBL4838843 0.79 SCN9A (0.62) SCN9ATRPV3
SCHEMBL4837484 0.77 SCN9A (0.64) SCN9ATRPV3
SCHEMBL14382171 0.76 SCN9A (0.50) SCN9ATRPV3
SCHEMBL4831628 0.76 SCN9A (0.62) SCN9ATRPV3
SCHEMBL4831553 0.76 SCN9A (0.62) SCN9ATRPV3
SCHEMBL4835464 0.76 SCN9A (0.62) SCN9ATRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 SCN9A 939/4885TRPV3 3597/4885

“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.