SCHEMBL3950720

SCHEMBL3950720

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
IDO1 P14902 2/20 0.36
TACR1 P25103 10/20 0.34
SIGMAR1 Q99720 2/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX1 P51575 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL3950360 0.85 RXRA (0.42) MRGPRX4IDO1TACR1RXRARXRB
SCHEMBL14117328 0.83 SIGMAR1 (0.40) MRGPRX4IDO1TACR1SIGMAR1NOS1
SCHEMBL7074326 0.81 IDO1 (0.40) MRGPRX4IDO1TACR1SIGMAR1NOS1
SCHEMBL7694014 0.80 TACR1 (0.43) IDO1TACR1P2RX1
SCHEMBL140938 0.80 IDO1 (0.52) IDO1TACR1RXRARXRBRXRG
SCHEMBL7078874 0.79 TAAR1 (0.50) IDO1TACR1NOS1NOS2
SCHEMBL17072154 0.75 RXRA (0.37) MRGPRX4TACR1RXRARXRBRXRG
SCHEMBL11907625 0.75 P2RX1 (0.42) MRGPRX4TACR1P2RX1RXRARXRB
SCHEMBL17320459 0.74 MGLL (0.42) MRGPRX4IDO1TACR1
SCHEMBL14092975 0.72 GABRA1 (0.39) IDO1TACR1P2RX1RXRARXRB

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 MRGPRX4 579/4885IDO1 4220/4885TACR1 796/4885

“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.