SCHEMBL1862804

SCHEMBL1862804

Cc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3nc(C(=O)O)ccc3Cl)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.53
MAOA P21397 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAP3K12 Q12852 1/20 0.36
MAPK3 P27361 1/20 0.36
RPS6KA3 P51812 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1857549 0.90 TRPV1 (0.41) TRPV1MAOAKCNH2GAAPOLB
SCHEMBL1869242 0.89 TRPV1 (0.53) TRPV1MAOAKCNH2MAP3K12MAPK3
SCHEMBL1858388 0.87 TRPV1 (0.49) TRPV1MAOAKCNH2MAPK3RPS6KA3
SCHEMBL3956119 0.86 TRPV1 (0.64) TRPV1MAOAKCNH2MAP3K12MAPK3
SCHEMBL1862250 0.80 TRPV1 (0.46) TRPV1MAOAKCNH2MAPK3RPS6KA3
SCHEMBL1862905 0.80 TRPV1 (0.45) TRPV1MAOAKCNH2
SCHEMBL1856617 0.78 TRPV1 (0.66) TRPV1MAOAKCNH2MAPK3
SCHEMBL1860183 0.78 TRPV1 (0.44) TRPV1MAPK3MEN1KMT2A
SCHEMBL12666713 0.78 TRPV1 (0.40) TRPV1MAOAKCNH2
SCHEMBL1868084 0.77 TRPV1 (0.73) TRPV1MAOAKCNH2MAPK3

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.