SCHEMBL1860932

SCHEMBL1860932

COCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)NCCO)cc3C(F)(F)F)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.45
MAOA P21397 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR52 Q9Y2T5 4/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPK3 P27361 1/20 0.33
TTK P33981 1/20 0.33
NAMPT P43490 2/20 0.33
METAP2 P50579 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL1862806 0.82 TRPV1 (0.35) TRPV1MAOAKCNH2GPR52LRRK2
SCHEMBL1860108 0.81 TRPV1 (0.42) TRPV1MAOAKCNH2MAPK3
SCHEMBL1862770 0.76 TRPV1 (0.66) TRPV1MAOAKCNH2MAPK3
SCHEMBL1864308 0.76 TRPV1 (0.62) TRPV1MAOAKCNH2MAPK3
SCHEMBL12629873 0.75 TRPV1 (0.42) TRPV1MAOAKCNH2
SCHEMBL1862046 0.74 TRPV1 (0.47) TRPV1MAOAKCNH2GPR52S1PR1
SCHEMBL1862993 0.72 TRPV1 (0.59) TRPV1MAOAKCNH2MAPK3
SCHEMBL1866606 0.72 TRPV1 (0.51) TRPV1MAOAKCNH2MAPK3
SCHEMBL1862446 0.71 TRPV1 (0.55) TRPV1MAOAKCNH2MAPK3
SCHEMBL1864536 0.70 TRPV1 (0.49) 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.