SCHEMBL13436645

SCHEMBL13436645

CC(C)(C)OC(=O)N1CC(CN)C[C@H]1C(=O)N1CCC(F)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.44
HSD17B10 Q99714 1/20 0.43
TGM2 P21980 1/20 0.40
DPP4 P27487 3/20 0.38
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL8237813 1.00 PREP (0.44) PREPHSD17B10TGM2DPP4NR1H2
SCHEMBL8426365 1.00 PREP (0.44) PREPHSD17B10TGM2DPP4NR1H2
SCHEMBL13436643 0.85 HSD17B10 (0.46) PREPHSD17B10TGM2NR1H2HPGD
SCHEMBL4919124 0.85 HSD17B10 (0.46) PREPHSD17B10TGM2NR1H2HPGD
SCHEMBL13462042 0.85 HSD17B10 (0.46) PREPHSD17B10TGM2NR1H2HPGD
SCHEMBL4913097 0.82 RECQL (0.50) HSD17B10TGM2DPP4NR1H2HPGD
SCHEMBL8426485 0.82 RECQL (0.50) HSD17B10TGM2DPP4NR1H2HPGD
SCHEMBL8272247 0.82 RECQL (0.50) HSD17B10TGM2DPP4NR1H2HPGD
SCHEMBL8426364 0.81 TGM2 (0.39) HSD17B10TGM2DPP4NR1H2SMN1; SMN2
SCHEMBL13436646 0.81 TGM2 (0.39) HSD17B10TGM2DPP4NR1H2SMN1; 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 PREP 46/4885HSD17B10 411/4885TGM2 696/4885

“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.