SCHEMBL1858481

SCHEMBL1858481

COCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ccc(-c3nc(C(=O)O)ccc3Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.48
MRGPRX4 Q96LA9 2/20 0.38
MAPK10 P53779 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SCN9A Q15858 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1866290 0.90 TRPV1 (0.38) TRPV1MRGPRX4GAASCN9ASCN10A
SCHEMBL1865694 0.89 TRPV1 (0.44) TRPV1MRGPRX4RAB9A
SCHEMBL1869133 0.87 TRPV1 (0.48) TRPV1MRGPRX4MAPK10POLBGAA
SCHEMBL1862250 0.87 TRPV1 (0.46) TRPV1MAPK10POLBGAA
SCHEMBL1867816 0.86 TRPV1 (0.49) TRPV1MRGPRX4POLBGAA
SCHEMBL1858388 0.82 TRPV1 (0.49) TRPV1MRGPRX4POLBGAASCN9A
SCHEMBL1862872 0.78 TRPV1 (0.57) TRPV1
SCHEMBL1867518 0.78 TRPV1 (0.57) TRPV1
SCHEMBL12629686 0.77 TRPV1 (0.45) TRPV1RAB9A
SCHEMBL1858201 0.77 TRPV1 (0.38) TRPV1MRGPRX4GAARAB9A

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 549/4885MRGPRX4 199/4885MAPK10 3919/4885

“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.