SCHEMBL4036061

SCHEMBL4036061

O=C(CCc1c(-c2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-])c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.39
DHODH Q02127 1/20 0.39
FBP1 P09467 1/20 0.38
KAT6A Q92794 1/20 0.37
SCN9A Q15858 1/20 0.36
MAPT P10636 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL12719913 0.82 CETP (0.40) CETPDHODHSCN9A
SCHEMBL4038468 0.81 CETP (0.37) CETPDHODHSCN9AMAPTNPC1
SCHEMBL4215678 0.78 SCN9A (0.41) CETPDHODHSCN9A
SCHEMBL4215675 0.76 SCN9A (0.37) CETPDHODHSCN9A
SCHEMBL4033040 0.76 DHODH (0.42) DHODHMAPTNPC1CASP3RAB9A
SCHEMBL4041375 0.74 MAPT (0.41) KAT6AMAPTNPC1RAB9A
SCHEMBL4753149 0.71 MEN1 (0.44) CETPMAPTNPC1RAB9A
SCHEMBL4035341 0.70 TDP1 (0.46) DHODHMAPTNPC1CASP3RAB9A
SCHEMBL4037445 0.70 KAT6A (0.46) KAT6AMAPT
SCHEMBL2379221 0.67 MAPT (0.46) CETPKAT6AMAPTNPC1RAB9A

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-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 CETP 1/4885DHODH 1784/4885FBP1 1453/4885

“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.