Sugi Predict

Sugi Predict / Compounds / SCHEMBL1147337

SCHEMBL1147337

SCHEMBL1147337

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.52
▸ EPHX2 P34913 4/20 0.48
▸ HSD11B1 P28845 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CCR1 P32246 1/20 0.45
▸ HTT P42858 2/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 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
SCHEMBL1146218 0.89 HSD11B1 (0.44) FAAHHSD11B1MAPTTRPV4TRPV1
SCHEMBL1147162 0.89 HSD11B1 (0.46) FAAHEPHX2HSD11B1MAPTCCR1
SCHEMBL1146710 0.88 CHRNB2 (0.50) HSD11B1MAPTTRPV4GAANPSR1
SCHEMBL1146763 0.87 FAAH (0.52) FAAHEPHX2MAPTCCR1MEN1
SCHEMBL1146975 0.86 MAPT (0.48) HSD11B1MAPTGAAMAPK1NPSR1
SCHEMBL1146827 0.86 FAAH (0.49) FAAHEPHX2HSD11B1MAPTCCR1
SCHEMBL15387559 0.84 FAAH (0.49) FAAHEPHX2HSD11B1MAPTCCR1
SCHEMBL1147307 0.83 LIPE (0.59) FAAHEPHX2MAPTTRPM8
SCHEMBL1147001 0.83 FAAH (0.48) FAAHEPHX2MAPTCCR1HTT
SCHEMBL1147280 0.83 ALDH1A1 (0.52) EPHX2MAPTTRPV4GAANPSR1

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 9 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
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 FAAH 2059/4885EPHX2 3415/4885HSD11B1 3837/4885

“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.