SCHEMBL1147397

SCHEMBL1147397

CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccccc3S(C)(=O)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.41
HSD11B1 P28845 1/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1147138 0.89 MAPT (0.46) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL1147263 0.89 EPHX2 (0.53) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL1146852 0.88 MAPT (0.55) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL1147363 0.87 LMNA (0.51) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL1147133 0.86 KMT2A (0.50) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL15387519 0.86 MAPT (0.44) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL1147319 0.86 MEN1 (0.54) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL1146918 0.85 MAPT (0.43) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL1147347 0.84 TP53 (0.53) MAPTMEN1KMT2AALDH1A1HSD11B1
SCHEMBL1147128 0.83 MAPT (0.44) MAPTALDH1A1RECQLLMNAEPHX2

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 MAPT 2319/4885MEN1 2306/4885KMT2A 1526/4885

“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.