SCHEMBL2213314

SCHEMBL2213314

O=C1CCCCN1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
CASP6 P55212 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9637924 0.98 ALDH1A1 (0.34) BRD4BRD2MAPTALDH1A1HSD17B10
SCHEMBL11231206 0.93
SCHEMBL3619150 0.70 BRD4 (0.37) BRD4BRD2ALDH1A1KMT2A
SCHEMBL1754761 0.67 KMT2A (0.47) KMT2A
Nitric Acid SCHEMBL17238232 0.67 BRD4 (0.59) BRD4BRD2MAPTALDH1A1HSD17B10
SCHEMBL31438158 0.66 BRD4 (0.33) BRD4BRD2
SCHEMBL4719135 0.65
SCHEMBL1440028 0.64 BRD4 (0.43) BRD4BRD2MAPTALDH1A1HSD17B10
SCHEMBL926389 0.64
Methylpyrrolidone SCHEMBL29182270 0.62 BRD4 (0.74) BRD4BRD2MAPTALDH1A1L3MBTL1

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 11 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
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
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
EP-2361246-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS Pfizer Inc. (US) 2011-08-31 EP disclosed
US-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2011-07-14 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-2010038167-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS PFIZER INC. (US) 2010-04-08 WO disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 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 (3 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 BRD4 2042/4885BRD2 1399/4885MAPT 249/4885
US-20110172297-A1 Oxopiperdinyl And Pyranyl Sulfonamides and Pharmaceutical Compositions Thereof GRIK5, GABRE, GRIK2 BRD4 828/4885BRD2 419/4885MAPT 3053/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C BRD4 2042/4885BRD2 1399/4885MAPT 249/4885

“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.