SCHEMBL1147368

SCHEMBL1147368

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
MOGAT2 Q3SYC2 3/20 0.43
EPHX2 P34913 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MGAT2 Q10469 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1147084 0.92 NPC1 (0.49) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1146726 0.91 EPHX2 (0.51) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1147280 0.90 ALDH1A1 (0.52) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1147370 0.89 MAPT (0.52) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1146710 0.88 CHRNB2 (0.50) MAPTSMN1; SMN2RAB9ACHRNB2CHRNB4
SCHEMBL1147386 0.86 KDM4E (0.53) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL15387521 0.85 SMN1; SMN2 (0.42) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1147071 0.80 EPHX2 (0.48) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1147278 0.80 MAPT (0.50) MAPTSMN1; SMN2MAPK1HTTMEN1
SCHEMBL1146218 0.80 HSD11B1 (0.44) MAPTMEN1KMT2AHSD11B1TRPV4

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 2319/4885SMN1; SMN2 1445/4885MAPK1 2518/4885

“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.