SCHEMBL3378759

SCHEMBL3378759

CN(C)C[C@H](O)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 1/20 0.39
DNM1 Q05193 2/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
KLKB1 P03952 2/20 0.38
ELANE P08246 2/20 0.38

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
SCHEMBL3378766 1.00 KMT2A (0.44) KMT2APKMLMNAALDH1A1GAA
SCHEMBL1062141 0.82 PKM (0.48) KMT2APKMLMNAALDH1A1GAA
SCHEMBL1062138 0.82 PKM (0.48) KMT2APKMLMNAALDH1A1GAA
SCHEMBL1063438 0.82 PKM (0.48) KMT2APKMLMNAALDH1A1GAA
SCHEMBL2151362 0.82 KMT2A (0.38) KMT2APKMLMNAALDH1A1GAA
SCHEMBL2151365 0.82 KMT2A (0.38) KMT2APKMLMNAALDH1A1GAA
SCHEMBL1083335 0.81 PKM (0.47) KMT2APKMLMNAALDH1A1GAA
SCHEMBL2669008 0.81 PKM (0.47) KMT2APKMLMNAALDH1A1GAA
SCHEMBL21826769 0.81 KMT2A (0.49) KMT2APKMLMNAALDH1A1GAA
SCHEMBL25859811 0.81 KMT2A (0.49) KMT2APKMLMNAALDH1A1GAA

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
CN-102753522-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2012-10-24 CN disclosed
CN-102159207-A Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2011-08-17 CN disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US 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.