SCHEMBL1147367

SCHEMBL1147367

CC(C)(C)OC(=O)NC1(C(=O)OCc2ccccc2)CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
SYK P43405 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 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
SCHEMBL2796110 0.91 CTSS (0.47) CTSLSYKCTSBCTSS
SCHEMBL2535173 0.90 SYK (0.49) CTSLSYKCTSBCTSSKMT2A
SCHEMBL21009793 0.88 MEN1 (0.46) CTSLCTSBCTSSKMT2A
SCHEMBL4823158 0.87 CTSS (0.54) CTSLSYKCTSBCTSSKMT2A
SCHEMBL1143391 0.87 CTSL (0.51) CTSLSYKCTSBCTSSKMT2A
SCHEMBL1283127 0.87 SMN1; SMN2 (0.47) CTSLSYKCTSBCTSSKMT2A
SCHEMBL550418 0.86 CTSL (0.56) CTSLSYKCTSBCTSSKMT2A
SCHEMBL7528358 0.86 CTSL (0.56) CTSLSYKCTSBCTSSKMT2A
SCHEMBL1147365 0.84 MEN1 (0.48) CTSLSYKCTSBCTSSKMT2A
SCHEMBL18482457 0.84 SYK (0.45) CTSLSYKCTSBCTSSKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP 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 CTSL 2108/4885SYK 3760/4885CTSB 2611/4885

“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.