SCHEMBL130429

SCHEMBL130429

Cc1c(Br)cc(C(F)(F)F)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.37
GABRB3 P28472 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KIF11 P52732 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL23502945 0.86 AR (0.42) ARCYP11B1CYP11B2KIF11
SCHEMBL23503139 0.82 AR (0.40) ARKIF11
SCHEMBL12535480 0.80 GABRB3 (0.40) GABRB3RIPK1
SCHEMBL31435045 0.79 CYP11B1 (0.36) ARCYP11B1CYP11B2KIF11RIPK1
SCHEMBL9465482 0.79 CYP11B1 (0.36) ARCYP11B1CYP11B2KIF11RIPK1
SCHEMBL23502943 0.79 AR (0.46) AR
SCHEMBL27614015 0.79 CYP11B1 (0.40) ARCYP11B1CYP11B2KIF11
SCHEMBL13755144 0.78 AR (0.45) ARGABRB3
SCHEMBL9581295 0.78 AR (0.35) ARCYP11B1CYP11B2KIF11
SCHEMBL9581992 0.78 ADRB2 (0.41) ARCYP11B1CYP11B2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172562-B Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP TANABE SEIYAKU CO 2015-04-22 CN disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
CN-101374817-A Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP MITSUBISHI TANABE PHARMA CORP (JP) 2009-02-25 CN disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB AR 2196/4885GABRB3 4688/4885CYP11B1 509/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB AR 2196/4885GABRB3 4688/4885CYP11B1 509/4885

“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.