SCHEMBL1866152

SCHEMBL1866152

CN(C)C(=O)c1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.66
MAOA P21397 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPK3 P27361 1/20 0.43
DYRK3 O43781 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
STK17A Q9UEE5 2/20 0.41
PLK4 O00444 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
FGFR1 P11362 1/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CLK2 P49760 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL1863974 0.89 TRPV1 (0.70) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1862859 0.89 TRPV1 (0.67) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1860511 0.85 TRPV1 (0.65) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1858243 0.84 TRPV1 (0.63) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1861727 0.84 TRPV1 (0.65) TRPV1MAOAKCNH2MAPK3
SCHEMBL12629701 0.80 TRPV1 (0.72) TRPV1MAOAKCNH2MAPK3
SCHEMBL1867333 0.80 TRPV1 (0.47) TRPV1MAOAKCNH2DYRK3GSK3A
SCHEMBL12666840 0.80 TRPV1 (0.55) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL4362074 0.80 TRPV1 (1.00) TRPV1MAPK3
SCHEMBL12666835 0.79 TRPV1 (0.71) TRPV1MAOAKCNH2MAPK3DYRK3

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 549/4885MAOA 582/4885KCNH2 2767/4885

“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.