SCHEMBL113667

SCHEMBL113667

CC(C)(C)OC(=O)N1CCN(C(=O)OCCCl)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
EPHX2 P34913 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
STS P08842 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL952650 0.84 SMN1; SMN2 (0.51) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL28898794 0.84 USP2 (0.51) SMN1; SMN2USP2ALDH1A1MEN1KMT2A
SCHEMBL4321429 0.83 USP2 (0.50) SMN1; SMN2USP2POLBALDH1A1MEN1
SCHEMBL1189317 0.82 ALDH1A1 (0.56) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL953403 0.81 SMN1; SMN2 (0.59) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL18294 0.81 USP2 (0.69) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL698803 0.81 USP2 (0.69) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL31425429 0.80 SMN1; SMN2 (0.51) SMN1; SMN2USP2POLBALDH1A1HTT
SCHEMBL22407745 0.80 MEN1 (0.49) SMN1; SMN2USP2POLBALDH1A1MEN1
SCHEMBL39755 0.79 USP2 (0.50) SMN1; SMN2USP2POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825528-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2015-01-21 EP disclosed
WO-2013135648-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-09-19 WO disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 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 (1 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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 SMN1; SMN2 148/4885USP2 4188/4885POLB 1835/4885

“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.