SCHEMBL132303

SCHEMBL132303

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cc(C)c2OS(=O)(=O)C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.40
PDK2 Q15119 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
TACR1 P25103 2/20 0.31
FAAH O00519 1/20 0.31
SERPINE1 P05121 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 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
SCHEMBL135313 0.94 CETP (0.39) CETPPDK2GPBAR1TACR1FAAH
SCHEMBL131743 0.90 CETP (0.44) CETPPDK2GPBAR1BRD4
SCHEMBL175980 0.85 CETP (0.37) CETPPDK2GPBAR1
SCHEMBL134654 0.83 CETP (0.42) CETPPDK2BRD4
SCHEMBL4499649 0.83 CETP (0.42) CETPPDK2GPBAR1TACR1
SCHEMBL1588147 0.82 CETP (0.41) CETPPDK2GPBAR1BRD4
SCHEMBL130695 0.82 CETP (0.41) CETPPDK2GPBAR1L3MBTL1BRD4
SCHEMBL131317 0.82 CETP (0.40) CETPPDK2L3MBTL1
SCHEMBL1587666 0.81 GPBAR1 (0.47) CETPPDK2GPBAR1TACR1FAAH
SCHEMBL1587427 0.81 CETP (0.41) CETPPDK2GPBAR1BRD4

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
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
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885PDK2 4237/4885GPBAR1 235/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885PDK2 4237/4885GPBAR1 235/4885

“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.