SCHEMBL3373628

SCHEMBL3373628

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ABCB1 P08183 2/20 0.31
DNM1 Q05193 2/20 0.30
HPGD P15428 2/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL14556269 1.00 HIF1A (0.36) HIF1AHTTLMNASMN1; SMN2ADRB2
SCHEMBL3373631 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3375011 0.87 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3373893 0.87 ALDH1A1 (0.32) LMNAALDH1A1
SCHEMBL3375209 0.84 ADRB2 (0.34) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3434243 0.84 ADRB2 (0.34) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2360067 0.83 HIF1A (0.39) HIF1AHTTLMNASMN1; SMN2ADRB2
SCHEMBL14556270 0.83 HIF1A (0.39) HIF1AHTTLMNASMN1; SMN2ADRB2
SCHEMBL2160162 0.83 HIF1A (0.39) HIF1AHTTLMNASMN1; SMN2ADRB2
SCHEMBL3373849 0.81 DNM1 (0.39) HIF1ALMNASMN1; SMN2DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
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
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 HIF1A 1737/4885HTT 3212/4885LMNA 3002/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 HIF1A 1737/4885HTT 3212/4885LMNA 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.