SCHEMBL4353574

SCHEMBL4353574

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.40
MAPK3 P27361 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL13936306 0.94 TRPV1 (0.41) TRPV1MAPK3
SCHEMBL4353295 0.92 TRPV1 (0.50) TRPV1MAPK3
SCHEMBL4356605 0.90 TRPV1 (0.54) TRPV1MAPK3
SCHEMBL4351808 0.89 TRPV1 (0.43) TRPV1MAPK3GRM4
SCHEMBL4359659 0.89 MAPT (0.36) TRPV1KDM4ENPC1MAPTHTT
SCHEMBL13936303 0.83 TRPV1 (0.43) TRPV1MAPK3
SCHEMBL4360169 0.82 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL4359111 0.80 TRPV1 (0.54) TRPV1MAPK3
SCHEMBL4474298 0.80 TRPV1 (0.56) TRPV1MAPK3
SCHEMBL4351469 0.79 TRPV1 (0.53) 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 279/4885MAPK3 3351/4885KDM4E 2241/4885
US-20050070547-A1 Substituted quinolin-4-ylamine analogues PIGS, HRH4, GPR52 TRPV1 281/4885MAPK3 3441/4885KDM4E 2333/4885

“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.