SCHEMBL7182250

SCHEMBL7182250

C[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)N2CC=C[C@H]2C#N)CS1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL7184976 0.72 KDM4E (0.40) DPP4ALDH1A1KDM4EMAPT
SCHEMBL7183413 0.69 DPP4 (0.43) DPP4
SCHEMBL7183418 0.69 DPP4 (0.43) DPP4
SCHEMBL6175154 0.69 DPP4 (0.45) DPP4
SCHEMBL7184776 0.69 DPP4 (0.45) DPP4
SCHEMBL6175148 0.69 DPP4 (0.45) DPP4
SCHEMBL6177694 0.68 DPP4 (0.50) DPP4
SCHEMBL7190829 0.67 DPP4 (0.34) DPP4
SCHEMBL7185634 0.66 BACE1 (0.50) DPP4MAPT
Hydrochloric Acid SCHEMBL9522163 0.66 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645995-B2 Dipeptidyl peptidase-IV (DPP-IV); treating type II diabetes in a human; amino acid amides of 2-cyanopyrrolidine NOVO NORDISK A/S (DK) 2003-11-11 US disclosed
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS (DK) 2002-08-01 US disclosed
US-6380398-B2 COMPOUNDS SUCH AS (S,S)1-(2-AMINO-3,3-DIMETHYL-BUTYRYL)-2,5-DIHYDRO-1H-PYRROLE-2 -CARBONITRILE ADMINISTERED AS ANTIDIABETIC AGENTS; DIPEPTIDYL PEPTIDASE-IV (DPP-IV) NOVO NORDISK A/S (DK) 2002-04-30 US disclosed
US-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2001-10-18 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 (2 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-20010031780-A1 New therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP4 1/4885ALDH1A1 261/4885KDM4E 1835/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 DPP4 1/4885ALDH1A1 229/4885KDM4E 1582/4885

“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.