SCHEMBL1147402

SCHEMBL1147402

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
CACNA1H O95180 1/20 0.50
P2RY1 P47900 1/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.48
EPHX2 P34913 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
TSHR P16473 1/20 0.48
ABL1 P00519 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
PRKAB2 O43741 1/20 0.45

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
SCHEMBL1147150 0.89 P2RY1 (0.61) P2RY1TNFNOD2NOD1EPHX2
SCHEMBL1147214 0.88 HIF1A (0.56) TRPV1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL15387588 0.87 TRPV1 (0.54) TRPV1CACNA1HP2RY1TNFNOD2
SCHEMBL1147334 0.87 FAAH (0.53) P2RY1TNFNOD2NOD1ALDH1A1
SCHEMBL1147256 0.85 RAB9A (0.55) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL1147361 0.83 EPHX2 (0.45) TRPV1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL1147286 0.81 MAPT (0.54) TRPV1P2RY1TNFNOD2NOD1
SCHEMBL1147265 0.80 P2RY1 (0.48) TRPV1P2RY1TNFNOD2NOD1
SCHEMBL11888824 0.79 ALDH1A1 (0.57) P2RY1ALDH1A1LMNATSHRKCNH2
SCHEMBL1147316 0.78 EPHX2 (0.53) P2RY1EPHX2KMT2AMEN1ATM

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 TRPV1 102/4885CACNA1H 501/4885P2RY1 17/4885

“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.