SCHEMBL1146729

SCHEMBL1146729

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.51
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SCD O00767 3/20 0.45
TRPV1 Q8NER1 3/20 0.44
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1146970 0.87 EPHX2 (0.50) NPY2RCNR1CNR2TRPV1EPHX2
SCHEMBL1147339 0.87 EPHX2 (0.44) NPY2RCNR1CNR2SCDTRPV1
SCHEMBL1147124 0.86 POLB (0.49) TRPV1ALDH1A1
SCHEMBL1147359 0.85 EPHX2 (0.52) NPY2RCNR1CNR2TRPV1EPHX2
SCHEMBL15387528 0.85 NPY2R (0.46) NPY2RCNR1CNR2SCDTRPV1
SCHEMBL1147033 0.85 EPHX2 (0.46) NPY2RCNR1CNR2TRPV1EPHX2
SCHEMBL1146903 0.80 KDM4E (0.48) TRPV1ALDH1A1
SCHEMBL1147355 0.80 CNR2 (0.61) CNR1CNR2TRPV1EPHX2
SCHEMBL1147071 0.79 EPHX2 (0.48) NPY2RCNR1CNR2TRPV1EPHX2
SCHEMBL1147158 0.79 EPHX2 (0.48) NPY2RCNR1CNR2TRPV1EPHX2

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 7 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
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 NPY2R 1038/4885CNR1 83/4885CNR2 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.