SCHEMBL1146852

SCHEMBL1146852

CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccccc3F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
CHRNB2 P17787 4/20 0.52
CHRNB4 P30926 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA4 P43681 4/20 0.52
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1147397 0.88 MAPT (0.46) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL1147138 0.88 MAPT (0.46) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL1147387 0.88 PKM (0.54) MAPTTP53PKMMEN1ALDH1A1
SCHEMBL1147263 0.88 EPHX2 (0.53) MAPTTP53MEN1KMT2A
SCHEMBL1147133 0.87 KMT2A (0.50) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL1147391 0.87 L3MBTL1 (0.56) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15387730 0.86 MAPT (0.51) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1147363 0.86 LMNA (0.51) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL1147319 0.85 MEN1 (0.54) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1147128 0.84 MAPT (0.44) MAPTPKMALDH1A1

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 2319/4885CHRNB2 2284/4885CHRNB4 2662/4885

“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.