SCHEMBL4355010

SCHEMBL4355010

COc1cc(Cl)c2ccc(-c3ncccc3C(F)(F)F)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.48
MAPK3 P27361 1/20 0.44
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 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
SCHEMBL4352833 0.84 TRPV1 (0.52) TRPV1MAPK3
SCHEMBL4354840 0.84 TRPV1 (0.46) TRPV1MAPK3
SCHEMBL4353070 0.80 TRPV1 (0.50) TRPV1
SCHEMBL4358042 0.79 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL4363820 0.79 TRPV1 (0.63) TRPV1MAPK3
SCHEMBL27659855 0.79 TRPV1 (0.47) TRPV1MAPK3PTPN1
SCHEMBL4351820 0.78 TRPV1 (0.73) TRPV1MAPK3
SCHEMBL14430635 0.76 TRPV1 (0.53) TRPV1MAPK3
SCHEMBL4908576 0.76 TRPV1 (0.48) TRPV1MAPK3
SCHEMBL1857454 0.74 TRPV1 (0.42) TRPV1MAPK3MEN1ALDH1A1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
EP-1644372-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
US-20050070547-A1 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005007652-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 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 (2 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 TRPV1 279/4885MAPK3 3351/4885GAA 847/4885
US-20050070547-A1 Substituted quinolin-4-ylamine analogues PIGS, HRH4, GPR52 TRPV1 281/4885MAPK3 3441/4885GAA 788/4885

“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.