SCHEMBL10057501

SCHEMBL10057501

CC(=O)C(C)NC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.33
OPRM1 P35372 5/20 0.33
OPRK1 P41145 1/20 0.33
PRCP P42785 2/20 0.33
CTSC P53634 2/20 0.32
CSK P41240 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB2 P49721 1/20 0.31

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
SCHEMBL22503730 0.89 MME (0.40)
SCHEMBL30799829 0.89 GHSR (0.37) OPRD1OPRM1OPRK1CTSC
SCHEMBL5077777 0.89 MME (0.40)
SCHEMBL5077779 0.89 MME (0.40)
SCHEMBL3268628 0.88 OPRD1 (0.33) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL21724486 0.88 MME (0.39)
Hydrochloric Acid SCHEMBL21724484 0.88 MME (0.39)
SCHEMBL24270549 0.87 SMN1; SMN2 (0.33) OPRD1OPRM1PRCPCTSCCSK
SCHEMBL14065661 0.87 SMN1; SMN2 (0.33) OPRD1OPRM1PRCPCTSCCSK
SCHEMBL13079794 0.87 MEN1 (0.36) OPRK1

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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 WO 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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 OPRD1 4051/4885OPRM1 4551/4885OPRK1 3818/4885

“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.