SCHEMBL2151365

SCHEMBL2151365

CN(C)CC(O)COC(C)(C)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 1/20 0.33
CYP2D6 P10635 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
SCHEMBL2151362 1.00 KMT2A (0.38) KMT2APKMLMNAMEN1HTT
SCHEMBL3378759 0.82 KMT2A (0.44) KMT2APKMLMNAMEN1GAA
SCHEMBL3378766 0.82 KMT2A (0.44) KMT2APKMLMNAMEN1GAA
SCHEMBL2360067 0.80 HIF1A (0.39) KMT2ALMNAMEN1HTTHIF1A
SCHEMBL14556270 0.80 HIF1A (0.39) KMT2ALMNAMEN1HTTHIF1A
SCHEMBL2160162 0.80 HIF1A (0.39) KMT2ALMNAMEN1HTTHIF1A
SCHEMBL3373628 0.79 HIF1A (0.36) LMNAHTTHIF1AALDH1A1
SCHEMBL14556269 0.79 HIF1A (0.36) LMNAHTTHIF1AALDH1A1
SCHEMBL1080326 0.75 KMT2A (0.44) KMT2APKMLMNAMEN1GAA
SCHEMBL27765485 0.73 KMT2A (0.49) KMT2APKMLMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2340021-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2011-07-06 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 KMT2A 703/4885PKM 880/4885LMNA 3002/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 KMT2A 703/4885PKM 880/4885LMNA 3002/4885

“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.