SCHEMBL1147133

SCHEMBL1147133

CCc1ccc(NC(=O)C2(N)CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK8 P45983 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 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
SCHEMBL1146852 0.87 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL15387493 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPK8MAPT
SCHEMBL1147138 0.86 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1147397 0.86 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1147263 0.86 EPHX2 (0.53) KMT2AMEN1MAPTPOLBGAA
SCHEMBL1147128 0.86 MAPT (0.44) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL1147363 0.83 LMNA (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1147319 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1146233 0.82 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1146918 0.82 MAPT (0.43) KMT2AMEN1MAPTLMNAPOLB

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 KMT2A 1526/4885MEN1 2306/4885ALDH1A1 45/4885

“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.