SCHEMBL1147033

SCHEMBL1147033

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.43
CACNA1B Q00975 2/20 0.42
NPY2R P49146 2/20 0.42
TRPV1 Q8NER1 3/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 1/20 0.41
SCN9A Q15858 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL15387714 0.87 EPHX2 (0.45) EPHX2HSD11B1MGLLCACNA1BNPY2R
SCHEMBL1146729 0.85 NPY2R (0.51) EPHX2NPY2RTRPV1CNR1CNR2
SCHEMBL1146970 0.85 EPHX2 (0.50) EPHX2NPY2RTRPV1CNR1CNR2
SCHEMBL1147124 0.83 POLB (0.49) TRPV1MAPT
SCHEMBL1147359 0.83 EPHX2 (0.52) EPHX2NPY2RTRPV1CNR1CNR2
SCHEMBL1147361 0.82 EPHX2 (0.45) EPHX2MGLLTRPV1MAPT
SCHEMBL1147158 0.79 EPHX2 (0.48) EPHX2CACNA1BNPY2RTRPV1CNR1
SCHEMBL1147071 0.79 EPHX2 (0.48) EPHX2NPY2RTRPV1CNR1CNR2
SCHEMBL11889009 0.79 HSD11B1 (0.55) EPHX2HSD11B1MGLLCACNA1BCNR1
SCHEMBL1147339 0.78 EPHX2 (0.44) EPHX2NPY2RTRPV1CNR1CNR2

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
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-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
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
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 3415/4885HSD11B1 3837/4885MGLL 4250/4885

“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.