SCHEMBL4990699

SCHEMBL4990699

FC(F)(F)c1ccc(Nc2cc(CN3CCCC3)nc3nc(-c4nnccc4C(F)(F)F)cnc23)nc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.54
KCNH2 Q12809 2/20 0.46
MAOA P21397 1/20 0.46
MAPK3 P27361 1/20 0.41

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
SCHEMBL4984826 0.86 TRPV1 (0.53) TRPV1KCNH2MAOAMAPK3
SCHEMBL4989164 0.84 TRPV1 (0.56) TRPV1KCNH2MAOAMAPK3
SCHEMBL14134888 0.82 TRPV1 (0.43) TRPV1KCNH2MAOAMAPK3
SCHEMBL4991837 0.80 TRPV1 (0.76) TRPV1KCNH2MAOAMAPK3
SCHEMBL4369914 0.79 TRPV1 (0.66) TRPV1MAPK3
SCHEMBL4360072 0.78 TRPV1 (0.65) TRPV1MAPK3
SCHEMBL4989840 0.77 TRPV1 (0.48) TRPV1KCNH2MAOAMAPK3
SCHEMBL1865398 0.75 TRPV1 (0.60) TRPV1KCNH2MAOAMAPK3
SCHEMBL1862045 0.74 TRPV1 (0.59) TRPV1KCNH2MAOAMAPK3
SCHEMBL1867154 0.74 TRPV1 (0.59) TRPV1KCNH2MAOAMAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 199/4885KCNH2 2693/4885MAOA 1216/4885

“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.