SCHEMBL13436643

SCHEMBL13436643

CC(C)(C)OC(=O)N1CC(CN)C[C@H]1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
PREP P48147 3/20 0.43
TGM2 P21980 1/20 0.42
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13462042 1.00 HSD17B10 (0.46) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL4919124 1.00 HSD17B10 (0.46) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL4913097 0.89 RECQL (0.50) HSD17B10HPGDTGM2NR1H2MEN1
SCHEMBL8426485 0.89 RECQL (0.50) HSD17B10HPGDTGM2NR1H2MEN1
SCHEMBL8272247 0.89 RECQL (0.50) HSD17B10HPGDTGM2NR1H2MEN1
SCHEMBL8272262 0.86 HSD17B10 (0.48) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL8237813 0.85 PREP (0.44) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL8426365 0.85 PREP (0.44) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL13436645 0.85 PREP (0.44) HSD17B10HPGDPREPTGM2NR1H2
SCHEMBL4919257 0.84 PREP (0.47) HSD17B10PREPTGM2NR1H2SMN1; SMN2

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 2 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

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-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885HPGD 1557/4885PREP 46/4885

“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.