SCHEMBL1869713

SCHEMBL1869713

O=C(NCCO)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3n2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.62
MAOA P21397 1/20 0.61
KCNH2 Q12809 1/20 0.61
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
GPR52 Q9Y2T5 5/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL1866400 0.90 TRPV1 (0.77) TRPV1MAOAKCNH2GPR52
SCHEMBL12666827 0.90 TRPV1 (0.50) TRPV1MAOAKCNH2PSMD14STAMBP
SCHEMBL1862993 0.88 TRPV1 (0.59) TRPV1MAOAKCNH2
SCHEMBL1856640 0.88 TRPV1 (0.66) TRPV1MAOAKCNH2
SCHEMBL12629653 0.87 TRPV1 (0.80) TRPV1MAOAKCNH2
SCHEMBL1860961 0.86 TRPV1 (0.49) TRPV1MAOAKCNH2GPR52GSK3A
SCHEMBL12666700 0.82 TRPV1 (0.44) TRPV1MAOAKCNH2GPR52GSK3A
SCHEMBL12665990 0.81 TRPV1 (0.63) TRPV1MAOAKCNH2GPR52GSK3A
SCHEMBL1867232 0.79 TRPV1 (0.49) TRPV1
SCHEMBL1864308 0.79 TRPV1 (0.62) TRPV1MAOAKCNH2

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 549/4885MAOA 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.