SCHEMBL3950360

SCHEMBL3950360

CN(C)c1cc(CO)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
TACR1 P25103 11/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
S1PR1 P21453 1/20 0.37
IDO1 P14902 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
CETP P11597 1/20 0.34

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
SCHEMBL3950720 0.85 MRGPRX4 (0.38) RXRARXRBRXRGMRGPRX4TACR1
SCHEMBL14117328 0.83 SIGMAR1 (0.40) MRGPRX4TACR1IDO1
SCHEMBL7074326 0.81 IDO1 (0.40) MRGPRX4TACR1IDO1
SCHEMBL265486 0.80 IDO1 (0.52) RXRARXRBRXRGTACR1PRKCA
SCHEMBL10552597 0.80 ACHE (0.42) S1PR1
SCHEMBL7694014 0.80 TACR1 (0.43) TACR1S1PR1IDO1
SCHEMBL26654228 0.80 ACHE (0.42)
SCHEMBL7078874 0.79 TAAR1 (0.50) TACR1IDO1
SCHEMBL799344 0.75 RXRA (0.45) RXRARXRBRXRGMRGPRX4PRKCA
SCHEMBL16951240 0.75 RXRA (0.45) RXRARXRBRXRGTACR1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 EP disclosed
CN-101490035-B Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG 2013-02-13 CN disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 US disclosed
CN-101490035-A Amino-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 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 (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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 RXRA 1604/4885RXRB 1340/4885RXRG 1631/4885

“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.