SCHEMBL1147359

SCHEMBL1147359

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(C(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
CNR2 P34972 3/20 0.51
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TRPV1 Q8NER1 5/20 0.44
TRPA1 O75762 1/20 0.44
KCNH2 Q12809 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
CNR1 P21554 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
NPY2R P49146 1/20 0.42
MAPT P10636 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
SCHEMBL1147124 0.88 POLB (0.49) ALDH1A1TRPV1KMT2AMAPT
SCHEMBL1146970 0.87 EPHX2 (0.50) EPHX2CNR2NAMPTALDH1A1TRPV1
SCHEMBL1146729 0.85 NPY2R (0.51) EPHX2CNR2ALDH1A1TRPV1CNR1
SCHEMBL15387446 0.84 EPHX2 (0.49) EPHX2CNR2NAMPTALDH1A1TRPV1
SCHEMBL1147033 0.83 EPHX2 (0.46) EPHX2CNR2TRPV1CNR1NPY2R
SCHEMBL1147377 0.82 EPHX2 (0.72) EPHX2TRPV1TRPM8
SCHEMBL1147337 0.80 FAAH (0.52) EPHX2TRPV1TRPA1KCNH2TRPM8
SCHEMBL1146747 0.80 FAAH (0.50) ALDH1A1TRPV1KMT2ARAB9ANPY2R
SCHEMBL1147071 0.79 EPHX2 (0.48) EPHX2CNR2TRPV1CNR1KMT2A
SCHEMBL1147158 0.79 EPHX2 (0.48) EPHX2CNR2TRPV1TRPM8CNR1

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 3415/4885CNR2 151/4885NAMPT 2246/4885

“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.