SCHEMBL1146970

SCHEMBL1146970

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(C(=O)c3ccccc3F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
NPY2R P49146 1/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NAMPT P43490 2/20 0.47
TRPV1 Q8NER1 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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) HTTSMN1; SMN2LMNATRPV1ALDH1A1
SCHEMBL1147071 0.87 EPHX2 (0.48) EPHX2NPY2RHTTSMN1; SMN2TRPV1
SCHEMBL1147158 0.87 EPHX2 (0.48) EPHX2NPY2RHTTSMN1; SMN2TRPV1
SCHEMBL1146729 0.87 NPY2R (0.51) EPHX2NPY2RTRPV1ALDH1A1CNR1
SCHEMBL1147359 0.87 EPHX2 (0.52) EPHX2NPY2RNAMPTTRPV1ALDH1A1
SCHEMBL1147033 0.85 EPHX2 (0.46) EPHX2NPY2RTRPV1CNR1CNR2
SCHEMBL15387610 0.84 EPHX2 (0.50) EPHX2NPY2RHTTSMN1; SMN2LMNA
SCHEMBL1147114 0.82 MEN1 (0.58) EPHX2NPY2RHTTSMN1; SMN2LMNA
SCHEMBL1147339 0.81 EPHX2 (0.44) EPHX2NPY2RHTTSMN1; SMN2TRPV1
SCHEMBL1146710 0.80 CHRNB2 (0.50) SMN1; SMN2GAATRPV1ALDH1A1PKM

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 3415/4885NPY2R 1038/4885HTT 1690/4885

“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.