SCHEMBL1858201

SCHEMBL1858201

COCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ccc(-c3ncc(C(=O)O)cc3Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 2/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LRRK2 Q5S007 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.33
FGFR4 P22455 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
SCHEMBL1869133 0.90 TRPV1 (0.48) TRPV1MRGPRX4GAARAB9A
SCHEMBL12629686 0.90 TRPV1 (0.45) TRPV1RAB9A
SCHEMBL1866290 0.87 TRPV1 (0.38) TRPV1CSNK2A2CSNK2BMRGPRX4KDM4E
SCHEMBL1862939 0.86 TRPV1 (0.38) TRPV1CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL1858042 0.85 TRPV1 (0.41) TRPV1CSNK2A1MRGPRX4LRRK2
SCHEMBL1862598 0.80 TRPV1 (0.45) TRPV1MRGPRX4GAALRRK2MAPK1
SCHEMBL1858481 0.77 TRPV1 (0.48) TRPV1MRGPRX4GAARAB9A
SCHEMBL1867627 0.76 TRPV1 (0.47) TRPV1GAARAB9A
SCHEMBL1864536 0.76 TRPV1 (0.49) TRPV1MRGPRX4GAA
SCHEMBL1859475 0.75 TRPV1 (0.42) TRPV1MRGPRX4

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 549/4885CSNK2A2 1109/4885CSNK2B 1406/4885

“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.