SCHEMBL131647

SCHEMBL131647

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TACR1 P25103 7/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
SERPINE1 P05121 2/20 0.40
GPBAR1 Q8TDU6 4/20 0.39
CETP P11597 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL129360 0.91 CETP (0.47) ALDH1A1TACR1SERPINE1GPBAR1CETP
SCHEMBL129291 0.83 PDK2 (0.41) TACR1GPBAR1CETP
SCHEMBL3823681 0.82 SERPINE1 (0.41) TACR1SERPINE1GPBAR1
SCHEMBL130203 0.73 CETP (0.45) PTPN2PTPN1PTPN6CETP
SCHEMBL3829886 0.71 CETP (0.45) TACR1SERPINE1GPBAR1CETP
SCHEMBL20129855 0.69 CYP19A1 (0.47) ALDH1A1SERPINE1PTGDR2
SCHEMBL3332143 0.68 GAA (0.51)
SCHEMBL7639892 0.68 TACR1 (0.51) ALDH1A1TACR1PTPN2PTPN1PTPN6
SCHEMBL6647004 0.66 PRKCA (0.62) ALDH1A1
SCHEMBL4877059 0.65 MEN1 (0.39) ALDH1A1SERPINE1

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 ALDH1A1 3054/4885TACR1 3049/4885PTPN2 2941/4885

“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.