SCHEMBL5366665

SCHEMBL5366665

COc1cccc(N(C(=O)c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
GPR119 Q8TDV5 7/20 0.56
USP30 Q70CQ3 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
OPRM1 P35372 1/20 0.50
CYP2D6 P10635 1/20 0.48
STS P08842 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
SLC2A1 P11166 1/20 0.47

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
SCHEMBL5379343 0.86 KMT2A (0.86) MEN1KMT2AGPR119CHRM2CHRM3
SCHEMBL5371477 0.85 MEN1 (0.78) MEN1KMT2AGPR119CHRM2CHRM3
SCHEMBL5374760 0.85 MEN1 (0.78) MEN1KMT2AGPR119CHRM2CHRM3
SCHEMBL21494991 0.79 MEN1 (0.61) MEN1KMT2AGPR119USP30KDM4E
SCHEMBL29882233 0.79 MEN1 (0.61) MEN1KMT2AGPR119USP30KDM4E
SCHEMBL5366572 0.79 SLC6A2 (0.57) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL8333913 0.78 MEN1 (0.68) MEN1KMT2AGPR119USP30STS
SCHEMBL4126039 0.77 MEN1 (0.63) MEN1KMT2AGPR119USP30CHRM2
SCHEMBL14655033 0.77 MEN1 (0.63) MEN1KMT2AGPR119STS
SCHEMBL4541225 0.77 MEN1 (0.64) MEN1KMT2AGPR119USP30OPRM1

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
US-7176316-B2 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
EP-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed
US-20040167166-A1 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. 2004-08-26 US 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-20040167166-A1 Amino-piperidine derivatives OPRL1, GRIA1, GRIN1 MEN1 4843/4885KMT2A 458/4885GPR119 461/4885

“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.