SCHEMBL1858558

SCHEMBL1858558

CNC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.66
MAPK3 P27361 1/20 0.52
SCN9A Q15858 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
MAOA P21397 1/20 0.37
KCNH2 Q12809 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
SCHEMBL1856817 0.90 TRPV1 (0.69) TRPV1MAPK3MAOAKCNH2
SCHEMBL1865975 0.89 TRPV1 (0.67) TRPV1MAPK3MAOAKCNH2
SCHEMBL12664967 0.89 TRPV1 (0.55) TRPV1MAPK3SCN9ACCNT1CCNK
SCHEMBL1865465 0.88 TRPV1 (0.65) TRPV1MAPK3
SCHEMBL1862327 0.87 TRPV1 (0.52) TRPV1MAPK3SCN9AMAOAKCNH2
SCHEMBL1858238 0.85 TRPV1 (0.65) TRPV1MAPK3MAOAKCNH2
SCHEMBL1860029 0.84 TRPV1 (0.59) TRPV1MAPK3SCN9A
SCHEMBL1863478 0.84 TRPV1 (0.74) TRPV1MAPK3
SCHEMBL1865540 0.83 TRPV1 (0.51) TRPV1SCN9ACDK2
SCHEMBL1860822 0.81 TRPV1 (0.70) TRPV1MAPK3

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-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 549/4885MAPK3 2884/4885SCN9A 1615/4885

“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.