SCHEMBL1147265

SCHEMBL1147265

O=C(Nc1ccc(OC(F)(F)F)cc1)C1(O)CCN(Cc2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.48
EPHX2 P34913 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
NPY2R P49146 1/20 0.46
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ABL1 P00519 1/20 0.44
KCNH2 Q12809 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL1147286 0.89 MAPT (0.54) P2RY1EPHX2TNFNOD2NOD1
SCHEMBL1147150 0.86 P2RY1 (0.61) P2RY1EPHX2TNFNOD2NOD1
SCHEMBL15387707 0.86 EPHX2 (0.46) P2RY1EPHX2MEN1KMT2AHTT
SCHEMBL1147148 0.83 MEN1 (0.52) P2RY1MEN1KMT2AHTTNPY2R
SCHEMBL1147159 0.80 ALDH1A1 (0.43) MEN1KMT2AHTTNPY2RKDM4E
SCHEMBL1147402 0.80 TRPV1 (0.54) P2RY1EPHX2MEN1KMT2ATNF
SCHEMBL1147361 0.79 EPHX2 (0.45) EPHX2KDM4ETRPV1MAPTKCNH2
SCHEMBL1147161 0.79 CHRNB2 (0.51) EPHX2MAPT
SCHEMBL1147334 0.79 FAAH (0.53) P2RY1EPHX2MEN1KMT2ATNF
SCHEMBL1147291 0.75 EPHX2 (0.62) EPHX2

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 P2RY1 17/4885EPHX2 3415/4885MEN1 2306/4885

“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.