SCHEMBL129360

SCHEMBL129360

O=C(OCc1ccccc1)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.47
ALDH1A1 P00352 1/20 0.41
TACR1 P25103 8/20 0.40
SERPINE1 P05121 1/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
LIPE Q05469 1/20 0.38

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
SCHEMBL131647 0.91 ALDH1A1 (0.43) CETPALDH1A1TACR1SERPINE1GPBAR1
SCHEMBL3829886 0.81 CETP (0.45) CETPTACR1SERPINE1GPBAR1
SCHEMBL129291 0.81 PDK2 (0.41) CETPTACR1GPBAR1
SCHEMBL1587890 0.75 CETP (0.44) CETPTACR1SERPINE1GPBAR1
SCHEMBL3823681 0.73 SERPINE1 (0.41) TACR1SERPINE1GPBAR1
SCHEMBL1587844 0.73 SLC6A4 (0.43) CETPGPBAR1
SCHEMBL132751 0.71 ALDH1A1 (0.40) CETPALDH1A1TACR1GPBAR1
SCHEMBL4490431 0.70 CETP (0.40) CETPTACR1
SCHEMBL4490427 0.69 CETP (0.39) CETPTACR1GPBAR1
SCHEMBL4495620 0.69 CETP (0.40) CETPGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885ALDH1A1 3054/4885TACR1 3049/4885

“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.