SCHEMBL1147277

SCHEMBL1147277

CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
EPHX1 P07099 2/20 0.53
LIPE Q05469 2/20 0.52
PKM P14618 1/20 0.48
TP53 P04637 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ11 Q14654 2/20 0.45
KCNJ8 Q15842 2/20 0.45
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44

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
SCHEMBL1147503 0.91 EPHX2 (0.64) EPHX2EPHX1LIPEPKMTP53
Hydrochloric Acid SCHEMBL1147512 0.90 EPHX2 (0.63) EPHX2EPHX1LIPEPKMTP53
SCHEMBL1147347 0.90 TP53 (0.53) TP53KMT2AMEN1POLBMAPT
SCHEMBL1147229 0.89 KDM4E (0.55) KMT2AMEN1POLBMAPT
SCHEMBL15387551 0.88 EPHX2 (0.51) EPHX2EPHX1LIPEPKMTP53
SCHEMBL12874959 0.87 SCN3A (0.51) TP53POLBMAPT
SCHEMBL1147507 0.86 MEN1 (0.53) PKMTP53KMT2AMEN1
SCHEMBL1147319 0.84 MEN1 (0.54) KMT2AMEN1MAPT
SCHEMBL1147128 0.84 MAPT (0.44) EPHX2EPHX1LIPEPKMMAPT
SCHEMBL1147481 0.83 CA12 (0.51) TP53KMT2APOLB

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 8 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

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 3415/4885EPHX1 2968/4885LIPE 4188/4885

“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.