SCHEMBL130526

SCHEMBL130526

CS(=O)(=O)CCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OCc2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
LRRK2 Q5S007 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
SLC1A5 Q15758 1/20 0.37
AR P10275 1/20 0.37
SLC6A9 P48067 1/20 0.36
PTGER1 P34995 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL132562 0.88 CETP (0.40) CETP
SCHEMBL129892 0.87 CETP (0.36) CETPHTR2CSLC6A4HTR2BSLC1A5
SCHEMBL1588216 0.87 HTR2C (0.39) CETPHTR2CSLC6A4HTR2BLRRK2
SCHEMBL129204 0.85 CETP (0.39) CETP
SCHEMBL130203 0.84 CETP (0.45) CETPHTR2CSLC6A4HTR2BLRRK2
SCHEMBL1588309 0.83 CETP (0.44) CETPLRRK2PTGER1
SCHEMBL1587844 0.83 SLC6A4 (0.43) CETPHTR2CSLC6A4HTR2BLRRK2
SCHEMBL12062624 0.82 CETP (0.57) CETP
SCHEMBL4510002 0.81 NR3C1 (0.37) CETP
SCHEMBL131232 0.80 CETP (0.58) CETP

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 7 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
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP 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 CETP 1/4885HTR2C 3167/4885SLC6A4 1347/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885HTR2C 3167/4885SLC6A4 1347/4885

“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.