SCHEMBL2686147

SCHEMBL2686147

CC(C)(C)OC(=O)N[C@@H](CC(=O)C1Cc2nccn2CN1)Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.41
▸ GPR119 Q8TDV5 1/20 0.39
▸ DPP4 P27487 6/20 0.36
▸ DPP7 Q9UHL4 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL1509221 0.80 DPP4 (0.44) SCN9ADPP4DPP7DPP8
SCHEMBL2685859 0.76 DPP4 (0.47) DPP4DPP7HTR2ADPP8
SCHEMBL10054447 0.74 CTSS (0.45) SCN9AGPR119DPP4DPP7AAK1
SCHEMBL2364410 0.74 CTSS (0.45) SCN9AGPR119DPP4DPP7AAK1
SCHEMBL1509219 0.74 CTSS (0.45) SCN9AGPR119DPP4DPP7AAK1
SCHEMBL2351580 0.74 DPP4 (0.40) SCN9ADPP4DPP7AAK1DPP8
SCHEMBL5515657 0.74 SCN9A (0.37) SCN9AGPR119DPP4DPP7DPP8
SCHEMBL10054507 0.72 SCN9A (0.45) SCN9AGPR119DPP4DPP7AAK1
SCHEMBL12849500 0.72 SCN9A (0.45) SCN9AGPR119DPP4DPP7AAK1
SCHEMBL10054499 0.72 SCN9A (0.45) SCN9AGPR119DPP4DPP7AAK1

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-8168637-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2012-05-01 — — US disclosed
US-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-05-27 — — 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-20100130504-A1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 SCN9A 2422/4885GPR119 125/4885DPP4 1/4885

“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.

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