SCHEMBL3018057

SCHEMBL3018057

CN1CC(c2ccccc2)([N+](=O)[O-])CC(O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
BRD4 O60885 3/20 0.31
TSHR P16473 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3023010 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3023013 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL7894208 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3023502 0.84 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3033560 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL7897295 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3033557 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3023778 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL3017592 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP2C19L3MBTL1
SCHEMBL15037440 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTBRD4TSHR

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 9 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
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 ALDH1A1 55/4885KMT2A 1114/4885MEN1 2862/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C ALDH1A1 55/4885KMT2A 1114/4885MEN1 2862/4885

“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.