SCHEMBL1147495

SCHEMBL1147495

NC1(C(=O)Nc2cccc(C(F)(F)F)c2)CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 4/20 0.48
IDH1 O75874 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL15387634 0.86 EPHX2 (0.48) EPHX2MAPTSMN1; SMN2LMNAIDH1
SCHEMBL1147426 0.82 MAPT (0.46) EPHX2MAPTSMN1; SMN2LMNAMEN1
SCHEMBL1147222 0.81 FAAH (0.64) EPHX2MAPTLMNAMEN1KMT2A
SCHEMBL1146756 0.81 FAAH (0.63) EPHX2MAPTMEN1KMT2AHTT
SCHEMBL1147272 0.80 LIPE (0.58) EPHX2MAPTSMN1; SMN2TP53TDP1
SCHEMBL1147129 0.80 LIPE (0.52) EPHX2LMNAALDH1A1FAAHCYP3A4
SCHEMBL21580284 0.79 LMNA (0.63) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1147374 0.79 RAB9A (0.48) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL1147196 0.79 LIPE (0.52) EPHX2FAAH
SCHEMBL1147198 0.79 FAAH (0.51) EPHX2MAPTMEN1KMT2AMAPK1

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 EPHX2 3415/4885MAPT 2319/4885SMN1; SMN2 1445/4885

“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.