SCHEMBL8250495

SCHEMBL8250495

C[C@H](C(=O)Cl)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.48
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
PKM P14618 1/20 0.40
FAP Q12884 1/20 0.40
PITRM1 Q5JRX3 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL13148519 0.86 DPP4 (0.48) DPP4DPP8DPP9PKMFAP
SCHEMBL4138799 0.81 NPC1 (0.50) DPP4CYP3A4NPC1ALDH1A1
SCHEMBL3878156 0.79 PKM (0.47) DPP4DPP8DPP9PKMFAP
SCHEMBL678338 0.79 GRIN2D (0.59) DPP4DPP8DPP9PKMFAP
SCHEMBL9918349 0.79 GRIN2D (0.59) DPP4DPP8DPP9PKMFAP
SCHEMBL9918883 0.79 GRIN2D (0.59) DPP4DPP8DPP9PKMFAP
SCHEMBL19909617 0.78 DPP4 (0.70) DPP4DPP8DPP9FAPPITRM1
SCHEMBL2761236 0.77 PKM (0.45) DPP4DPP8DPP9PKMFAP
3-Hydroxyrimantadine SCHEMBL2739148 0.76 SLC22A2 (0.59) DPP4DPP8DPP9PKMFAP
3-Hydroxyrimantadine SCHEMBL12855162 0.76 SLC22A2 (0.59) DPP4DPP8DPP9PKMFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222242-A1 Process for preparing a dipeptidyl peptidase IV inhibitor and intermediates employed therein ASTRAZENECA AB (SE) 2005-10-06 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-20050222242-A1 Process for preparing a dipeptidyl peptidase IV inhibitor and intermediates employed therein DPP4, DPP8, DPP7 DPP4 1/4885DPP8 2/4885DPP9 5/4885

“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.