SCHEMBL8426485

SCHEMBL8426485

CC(C)(C)OC(=O)N1CC(CN)CC1C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.41
TGM2 P21980 1/20 0.41
NR1H2 P55055 1/20 0.39
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CTSD P07339 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
DPP4 P27487 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL8272247 1.00 RECQL (0.50) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL4913097 1.00 RECQL (0.50) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL13436643 0.89 HSD17B10 (0.46) SMN1; SMN2HSD17B10TGM2NR1H2HPGD
SCHEMBL13462042 0.89 HSD17B10 (0.46) SMN1; SMN2HSD17B10TGM2NR1H2HPGD
SCHEMBL4919124 0.89 HSD17B10 (0.46) SMN1; SMN2HSD17B10TGM2NR1H2HPGD
SCHEMBL13567830 0.84 RECQL (0.53) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL8426484 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL13567876 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL13567832 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10TGM2
SCHEMBL8272250 0.83 RECQL (0.54) RECQLUSP2SMN1; SMN2HSD17B10TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671076-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-03-02 US disclosed
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2008-05-22 US disclosed
US-7348346-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-03-25 US disclosed
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 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 (3 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-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 RECQL 2381/4885USP2 1791/4885SMN1; SMN2 4790/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 RECQL 2381/4885USP2 1791/4885SMN1; SMN2 4790/4885
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 RECQL 2381/4885USP2 1791/4885SMN1; SMN2 4790/4885

“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.