SCHEMBL8426484

SCHEMBL8426484

CC(C)(C)OC(=O)N1C[C@H](O)CC1C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
PIK3CD O00329 1/20 0.36
PREP P48147 2/20 0.36
NR1H2 P55055 1/20 0.36
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13567832 1.00 RECQL (0.54) RECQLUSP2SMN1; SMN2CYP1A2POLB
SCHEMBL13567876 1.00 RECQL (0.54) RECQLUSP2SMN1; SMN2CYP1A2POLB
SCHEMBL8272250 1.00 RECQL (0.54) RECQLUSP2SMN1; SMN2CYP1A2POLB
SCHEMBL13567830 0.88 RECQL (0.53) RECQLUSP2SMN1; SMN2CYP1A2POLB
SCHEMBL13462044 0.88 HPGD (0.50) RECQLCYP1A2POLBCYP3A4CYP2C19
SCHEMBL2709135 0.88 HPGD (0.50) RECQLCYP1A2POLBCYP3A4CYP2C19
SCHEMBL2496643 0.88 HSD17B10 (0.50) RECQLCYP1A2POLBCYP3A4CYP2C19
SCHEMBL7142429 0.86 HPGD (0.52) RECQLCYP1A2POLBCYP3A4CYP2C19
SCHEMBL13567875 0.86 RECQL (0.53) RECQLUSP2SMN1; SMN2HSD17B10HPGD
SCHEMBL26453444 0.85 CYP1A2 (0.46) RECQLCYP1A2POLBCYP3A4CYP2C19

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.