SCHEMBL1146903

SCHEMBL1146903

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(Cc3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 7/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ATM Q13315 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
KCNH2 Q12809 3/20 0.44
P2RY1 P47900 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
PHGDH O43175 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 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
SCHEMBL1147148 0.88 MEN1 (0.52) KDM4EALDH1A1KMT2AMEN1P2RY1
SCHEMBL1147185 0.86 TRPV1 (0.46) KDM4EALDH1A1NPSR1ATMTDP1
SCHEMBL1146747 0.85 FAAH (0.50) KDM4EALDH1A1KMT2AMEN1P2RY1
SCHEMBL1147361 0.85 EPHX2 (0.45) KDM4EALDH1A1KCNH2TRPV1MAPT
SCHEMBL15387654 0.85 KCNH2 (0.47) KDM4EALDH1A1NPSR1ATMTDP1
SCHEMBL1147214 0.84 HIF1A (0.56) KDM4EALDH1A1TDP1KCNH2HIF1A
SCHEMBL1147256 0.83 RAB9A (0.55) KDM4EALDH1A1KMT2AMEN1HIF1A
SCHEMBL1146729 0.80 NPY2R (0.51) ALDH1A1TRPV1
SCHEMBL1146917 0.78 KDM4E (0.51) KDM4EALDH1A1NPSR1ATMTDP1
SCHEMBL1147402 0.78 TRPV1 (0.54) KDM4EALDH1A1ATMKMT2AMEN1

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 KDM4E 2216/4885ALDH1A1 45/4885NPSR1 138/4885

“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.