SCHEMBL1865694

SCHEMBL1865694

COCc1cc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)O)ccc3Cl)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.44
ACP1 P24666 1/20 0.41
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
CTSA P10619 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL1858481 0.89 TRPV1 (0.48) TRPV1RAB9AMRGPRX4
SCHEMBL1866290 0.88 TRPV1 (0.38) TRPV1RAB9AMRGPRX4CTSA
SCHEMBL12629686 0.85 TRPV1 (0.45) TRPV1ACP1RAB9A
SCHEMBL1862355 0.85 MRGPRX4 (0.40) TRPV1ACP1RAB9AMRGPRX4CTSA
SCHEMBL1862128 0.79 MRGPRX4 (0.40) TRPV1RAB9AMRGPRX4CTSA
SCHEMBL1862403 0.76 TRPV1 (0.54) TRPV1ACP1
SCHEMBL1859921 0.76 TRPV1 (0.48) TRPV1ACP1
SCHEMBL12666008 0.76 NPC1 (0.41) TRPV1ACP1
SCHEMBL1869133 0.76 TRPV1 (0.48) TRPV1RAB9AMRGPRX4
SCHEMBL1858201 0.75 TRPV1 (0.38) TRPV1RAB9AMRGPRX4

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 7 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
EP-1811845-A4 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-15 EP disclosed
EP-1811845-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-01 EP disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 US disclosed
WO-2006042289-A2 SUBSTITUTED BIARYL QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-20 WO 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 549/4885ACP1 2981/4885RAB9A 823/4885

“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.