SCHEMBL1147181

SCHEMBL1147181

CC(C)c1ccc(NC(=O)C2(N)CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.56
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ PRKAB2 O43741 4/20 0.49
▸ PRKAG1 P54619 4/20 0.49
▸ PRKAA2 P54646 4/20 0.49
▸ PRKAA1 Q13131 4/20 0.49
▸ PRKAG3 Q9UGI9 4/20 0.49
▸ PRKAG2 Q9UGJ0 4/20 0.49
▸ PRKAB1 Q9Y478 4/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PANK3 Q9H999 1/20 0.46
▸ NPY2R P49146 1/20 0.46

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
SCHEMBL1147452 0.88 MAPT (0.63) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL1146847 0.87 ALDH1A1 (0.50) EPHX2CNR1CNR2MAPTMEN1
SCHEMBL1147322 0.85 MAPT (0.43) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL15387779 0.85 EPHX2 (0.53) EPHX2CNR1CNR2PRKAB2PRKAG1
SCHEMBL1147016 0.83 HIF1A (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL1146746 0.82 HIF1A (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1147379 0.80 TRPV1 (0.55) CNR1CNR2MAPTKMT2AALDH1A1
SCHEMBL1147398 0.80 NPC1 (0.61) MAPTKMT2AALDH1A1SMN1; SMN2PANK3
Hydrochloric Acid SCHEMBL1160542 0.79 TRPV1 (0.54) CNR1CNR2MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL15387462 0.79 NPC1 (0.60) MAPTKMT2AALDH1A1SMN1; SMN2PANK3

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 3415/4885CNR1 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.

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