SCHEMBL1146827

SCHEMBL1146827

COC1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCN(S(=O)(=O)c2ccccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.49
EPHX2 P34913 5/20 0.46
HSD11B1 P28845 3/20 0.43
NR3C1 P04150 1/20 0.42
MAPT P10636 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CCR1 P32246 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
TRPA1 O75762 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL1147337 0.86 FAAH (0.52) FAAHEPHX2HSD11B1MAPTTRPV4
SCHEMBL15387421 0.84 FAAH (0.48) FAAHEPHX2HSD11B1NR3C1MAPT
SCHEMBL15387559 0.82 FAAH (0.49) FAAHEPHX2HSD11B1MAPTTRPV4
SCHEMBL11888885 0.79 CCR1 (0.49) FAAHCCR1
SCHEMBL1146975 0.78 MAPT (0.48) HSD11B1MAPT
SCHEMBL1146710 0.77 CHRNB2 (0.50) HSD11B1MAPTTRPV4CHRNB2CHRNB4
SCHEMBL1147162 0.76 HSD11B1 (0.46) FAAHEPHX2HSD11B1MAPTTRPV4
SCHEMBL1146218 0.76 HSD11B1 (0.44) FAAHHSD11B1NR3C1MAPTTRPV4
SCHEMBL1146756 0.74 FAAH (0.63) FAAHEPHX2MAPTCCR1
SCHEMBL12085011 0.74 LIPE (0.58) FAAHEPHX2MAPTTRPM8

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.