SCHEMBL14596990

SCHEMBL14596990

N#Cc1ccc(OC2CCC(C=O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
DGAT1 O75907 2/20 0.42
ADORA2A P29274 1/20 0.42
KCNH2 Q12809 1/20 0.42
IP6K1 Q92551 1/20 0.41
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
HSD11B1 P28845 4/20 0.40
ACACB O00763 3/20 0.40
HSD11B2 P80365 1/20 0.38
TRPC3 Q13507 2/20 0.36
TRPC6 Q9Y210 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TIPARP Q7Z3E1 1/20 0.36
PDE4B Q07343 1/20 0.34
OPRM1 P35372 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
SCHEMBL30222295 0.89 DPP4 (0.52) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL25615427 0.89 DPP4 (0.52) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL2695269 0.83 DPP4 (0.53) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL648239 0.82 DPP4 (0.47) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL646276 0.82 DPP4 (0.47) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL14626014 0.82 DPP4 (0.48) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL2585221 0.82 DPP4 (0.52) DPP4DPP9DPP8DGAT1IP6K1
Hydrochloric Acid SCHEMBL21522533 0.81 DPP4 (0.47) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL5529166 0.81 DPP4 (0.47) DPP4DPP9DPP8DGAT1ADORA2A
SCHEMBL941166 0.81 TDO2 (0.46) DPP4DPP9DPP8DGAT1ADORA2A

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-7196100-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2007-03-27 US disclosed
US-20070010558-A1 Opioid receptor antagonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-01-11 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-20070010558-A1 Opioid receptor antagonists OPRM1, OPRK1, OPRL1 DPP4 1387/4885DPP9 1914/4885DPP8 1850/4885

“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.