SCHEMBL3020063

SCHEMBL3020063

CN1CC(c2cccc(Cl)c2)([N+](=O)[O-])CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 5/20 0.35
CTSD P07339 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
FBP1 P09467 2/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 3/20 0.33
CCR2 P41597 1/20 0.33
ALOX5 P09917 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32

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
SCHEMBL3017592 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL15037435 0.78 HSD11B1 (0.42) HSD11B1MEN1KMT2ABACE1CTSD
SCHEMBL3033884 0.78 KDM4E (0.36) MEN1KMT2ABACE1BACE2ALDH1A1
SCHEMBL3024068 0.76 MEN1 (0.41) HSD11B1MEN1KMT2ABACE1CTSD
SCHEMBL3023214 0.76 CYP19A1 (0.43)
SCHEMBL27860743 0.75 DPP4 (0.36) DPP4DPP8DPP9TDP1GAA
SCHEMBL30496205 0.66 SLC6A4 (0.41) HSD11B1DPP4DPP8DPP9ALDH1A1
SCHEMBL27173376 0.66 SLC6A4 (0.41) HSD11B1DPP4DPP8DPP9ALDH1A1
SCHEMBL11805371 0.64 OPRM1 (0.45) HSD11B1MEN1KMT2ABACE1ALDH1A1
SCHEMBL17999282 0.64 ACHE (0.35) HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 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 (2 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C HSD11B1 852/4885MEN1 2862/4885KMT2A 1114/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C HSD11B1 852/4885MEN1 2862/4885KMT2A 1114/4885

“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.