SCHEMBL1147339

SCHEMBL1147339

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
GPR183 P32249 1/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
SMO Q99835 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGDS O60760 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
NPY2R P49146 2/20 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
SCHEMBL1147071 0.89 EPHX2 (0.48) EPHX2CNR2CNR1MEN1KMT2A
SCHEMBL1146729 0.87 NPY2R (0.51) EPHX2CNR2CNR1TRPV1NPY2R
SCHEMBL1147158 0.87 EPHX2 (0.48) EPHX2CNR2CNR1MEN1KMT2A
SCHEMBL15387602 0.86 EPHX2 (0.42) EPHX2GPR183CNR2CNR1SMO
SCHEMBL1147114 0.82 MEN1 (0.58) EPHX2CNR2CNR1MEN1KMT2A
SCHEMBL1146970 0.81 EPHX2 (0.50) EPHX2CNR2CNR1HTTSMN1; SMN2
SCHEMBL11889092 0.79 GPR183 (0.52) GPR183SMONPC1HCRTR1HCRTR2
SCHEMBL1147033 0.78 EPHX2 (0.46) EPHX2CNR2CNR1MAPTTRPV1
SCHEMBL1147355 0.78 CNR2 (0.61) EPHX2CNR2CNR1MAPTTRPM8
SCHEMBL1147124 0.77 POLB (0.49) KMT2AMAPTHTTSMN1; SMN2TRPV1

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 3415/4885GPR183 3534/4885CNR2 151/4885

“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.