SCHEMBL3033884

SCHEMBL3033884

CN1CC(c2cccnc2)([N+](=O)[O-])CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.33
BACE1 P56817 3/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL3023214 0.84 CYP19A1 (0.43) CYP19A1
SCHEMBL3017592 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1OPRM1
SCHEMBL3020063 0.78 HSD11B1 (0.36) MEN1KMT2AALDH1A1BACE1BACE2
SCHEMBL29422996 0.68 ALDH1A1 (0.68) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL11098481 0.68 ALDH1A1 (0.68) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL11098477 0.68 ALDH1A1 (0.68) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL22771268 0.62 HCAR2 (0.40) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL253506 0.62 CHRM2 (0.41) MEN1KMT2AALDH1A1BACE1OPRM1
SCHEMBL15037437 0.62 ALDH1A1 (0.50) MEN1KMT2AALDH1A1BACE1OPRM1
SCHEMBL15042239 0.62 CHRM2 (0.41) MEN1KMT2AALDH1A1BACE1OPRM1

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 14 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
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
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
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
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 KDM4E 2562/4885CYP3A4 814/4885THRB 1474/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C KDM4E 2562/4885CYP3A4 814/4885THRB 1474/4885

“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.