SCHEMBL3020089

SCHEMBL3020089

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GAA P10253 3/20 0.33
GRM5 P41594 1/20 0.33
PAX8 Q06710 1/20 0.33
MCL1 Q07820 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GRIN2B Q13224 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 0.75 ALDH1A1 (0.44) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL15037487 0.75 GRIN1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2LMNAGRIN1
SCHEMBL7894208 0.73 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3023013 0.73 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3023010 0.73 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3023502 0.72 ALDH1A1 (0.36) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3018057 0.72 ALDH1A1 (0.36) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL7897295 0.70 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3033560 0.70 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL3033557 0.70 ALDH1A1 (0.37) L3MBTL1ALDH1A1MEN1CYP2C19KMT2A

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 L3MBTL1 4609/4885ALDH1A1 55/4885MEN1 2862/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C L3MBTL1 4609/4885ALDH1A1 55/4885MEN1 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.