SCHEMBL1861672

SCHEMBL1861672

Cc1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.56
TGFBR1 P36897 1/20 0.41
GAK O14976 1/20 0.40
MAPK3 P27361 1/20 0.39
ALK Q9UM73 1/20 0.37

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
SCHEMBL1858310 0.85 TRPV1 (0.54) TRPV1GAKMAPK3
SCHEMBL1863072 0.84 TRPV1 (0.57) TRPV1TGFBR1GAKALK
SCHEMBL1858989 0.84 TRPV1 (0.53) TRPV1MAPK3ALK
SCHEMBL1865540 0.84 TRPV1 (0.51) TRPV1GAK
SCHEMBL1863478 0.80 TRPV1 (0.74) TRPV1MAPK3
SCHEMBL5125014 0.80 TRPV1 (0.50) TRPV1TGFBR1GAKALK
SCHEMBL12629704 0.80 TRPV1 (0.57) TRPV1GAKMAPK3ALK
SCHEMBL5120843 0.80 TRPV1 (0.49) TRPV1TGFBR1GAKALK
SCHEMBL12629696 0.79 TRPV1 (0.49) TRPV1TGFBR1GAKALK
SCHEMBL1864049 0.79 TRPV1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 TRPV1 549/4885TGFBR1 787/4885GAK 3248/4885

“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.