SCHEMBL1864536

SCHEMBL1864536

COCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.49
MAPK3 P27361 1/20 0.42
MAOA P21397 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.36
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL1859475 0.90 TRPV1 (0.42) TRPV1MRGPRX4
SCHEMBL1858042 0.90 TRPV1 (0.41) TRPV1MRGPRX4
SCHEMBL1866320 0.90 TRPV1 (0.59) TRPV1MAOAKCNH2POLBGAA
SCHEMBL1860108 0.89 TRPV1 (0.42) TRPV1MAPK3MAOAKCNH2MRGPRX4
SCHEMBL1867816 0.87 TRPV1 (0.49) TRPV1MAPK3MAOAKCNH2POLB
SCHEMBL3954572 0.87 TRPV1 (0.53) TRPV1MAPK3MAOAKCNH2MRGPRX4
SCHEMBL1869133 0.86 TRPV1 (0.48) TRPV1MAOAKCNH2POLBGAA
SCHEMBL1863401 0.83 TRPV1 (0.59) TRPV1MAPK3MAOAKCNH2POLB
SCHEMBL1862452 0.80 TRPV1 (0.46) TRPV1MAOAKCNH2MRGPRX4
SCHEMBL1866606 0.79 TRPV1 (0.51) TRPV1MAPK3MAOAKCNH2

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 549/4885MAPK3 2884/4885MAOA 582/4885

“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.