SCHEMBL4351808

SCHEMBL4351808

COCc1cc(Nc2ccc(C(C)(C)O)cc2)c2ccc(-c3ncccc3Cl)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.43
CCR9 P51686 1/20 0.35
MAPK3 P27361 1/20 0.34
GRM4 Q14833 1/20 0.33
BUB1 O43683 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
SCHEMBL13936303 0.94 TRPV1 (0.43) TRPV1CCR9MAPK3
SCHEMBL4359111 0.91 TRPV1 (0.54) TRPV1MAPK3
SCHEMBL4353574 0.89 TRPV1 (0.40) TRPV1MAPK3GRM4
SCHEMBL13936306 0.82 TRPV1 (0.41) TRPV1CCR9MAPK3
SCHEMBL13622816 0.81 TRPV1 (0.60) TRPV1MAPK3
SCHEMBL4475695 0.81 TRPV1 (0.55) TRPV1MAPK3
SCHEMBL13622817 0.81 TRPV1 (0.68) TRPV1MAPK3
SCHEMBL4353295 0.80 TRPV1 (0.50) TRPV1MAPK3
SCHEMBL4362095 0.80 TRPV1 (0.56) TRPV1MAPK3
SCHEMBL4356605 0.78 TRPV1 (0.54) 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 5 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-20050070547-A1 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION 2005-03-31 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 (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 279/4885CCR9 1658/4885MAPK3 3351/4885
US-20050070547-A1 Substituted quinolin-4-ylamine analogues PIGS, HRH4, GPR52 TRPV1 281/4885CCR9 1607/4885MAPK3 3441/4885

“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.