SCHEMBL1146754

SCHEMBL1146754

CC(C)(C)CS(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.53
LIPE Q05469 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RY1 P47900 2/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
P2RX1 P51575 1/20 0.43

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
SCHEMBL1147407 0.89 EPHX2 (0.52) EPHX2LIPEKMT2AMEN1ATM
SCHEMBL15387822 0.86 EPHX2 (0.51) EPHX2LIPEKMT2AMEN1ATM
SCHEMBL1145927 0.85 EPHX2 (0.50) EPHX2LIPEKMT2AMEN1ATM
SCHEMBL1147316 0.81 EPHX2 (0.53) EPHX2KMT2AMEN1ATMP2RY1
SCHEMBL1147173 0.81 EPHX2 (0.55) EPHX2LIPEKMT2AMEN1PKM
SCHEMBL1147254 0.80 EPHX2 (0.65) EPHX2LIPEKMT2AMEN1PKM
SCHEMBL1146732 0.80 PTH1R (0.41) EPHX2LIPEKMT2AMEN1
SCHEMBL1147307 0.80 LIPE (0.59) EPHX2LIPEPKMTP53
SCHEMBL1147161 0.80 CHRNB2 (0.51) EPHX2LIPEPKMTP53
SCHEMBL1146846 0.79 KMT2A (0.50) EPHX2LIPEKMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 EPHX2 3415/4885LIPE 4188/4885KMT2A 1526/4885

“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.