SCHEMBL4075406

SCHEMBL4075406

Oc1ncc(C(F)(F)F)c(-c2ccc3c(Cl)ccnc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.46
MAPK3 P27361 1/20 0.40
KMO O15229 1/20 0.32
SCN9A Q15858 1/20 0.30

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
SCHEMBL4358042 0.78 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL4076189 0.77 TRPV1 (0.58) TRPV1MAPK3KMOSCN9A
SCHEMBL1860193 0.77 TRPV1 (0.45) TRPV1MAPK3
SCHEMBL4073374 0.76 TRPV1 (0.74) TRPV1MAPK3
SCHEMBL1857454 0.76 TRPV1 (0.42) TRPV1MAPK3SCN9A
SCHEMBL5120908 0.74 TRPV1 (0.58) TRPV1MAPK3
SCHEMBL12501034 0.70 TRPV1 (0.44) TRPV1MAPK3KMO
SCHEMBL2648851 0.69 RPS6KB1 (0.36) TRPV1
SCHEMBL4359138 0.68 TRPV1 (0.43) TRPV1MAPK3
SCHEMBL1867979 0.68 GRM5 (0.36) TRPV1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841430-A4 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORP (US) 2009-07-29 EP disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
EP-1841430-A2 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-10-10 EP disclosed
WO-2006081388-A2 SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-08-03 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-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 TRPV1 199/4885MAPK3 2900/4885KMO 953/4885

“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.