SCHEMBL9944479

SCHEMBL9944479

CC(C)(C)CC(=O)N1CCn2ncnc2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
NOTUM Q6P988 4/20 0.47
MYT1 Q01538 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 1/20 0.38
FAAH O00519 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PIK3CD O00329 1/20 0.34
CDK1 P06493 1/20 0.34
WEE1 P30291 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
JAK1 P23458 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRM5 P41594 1/20 0.33
RET P07949 2/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL20866529 0.86 DPP4 (0.47) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL12821118 0.84 DPP4 (0.52) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL19154061 0.82 DPP4 (0.51) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL19058893 0.81 DPP4 (0.52) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL15490060 0.80 DPP4 (0.58) DPP4NOTUMP2RY12
SCHEMBL14970437 0.79 DPP4 (0.46) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL19111017 0.78 DPP4 (0.50) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL19722714 0.75 DPP4 (0.46) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL16219027 0.75 DPP4 (0.49) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL9944486 0.71 DPP4 (0.53) DPP4NOTUMMYT1DPP8GRM5

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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885NOTUM 402/4885MYT1 3353/4885

“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.