SCHEMBL7182927

SCHEMBL7182927

N#CC1C=CCN1C(=O)C1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
NOS2 P35228 1/20 0.34
SMYD3 Q9H7B4 2/20 0.34
DPP4 P27487 2/20 0.33
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CTSC P53634 1/20 0.31
PARP1 P09874 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
SCHEMBL6175345 0.78 DPP4 (0.57) DPP4
SCHEMBL7416194 0.78 DPP4 (0.57) DPP4
SCHEMBL6175339 0.78 DPP4 (0.57) DPP4
SCHEMBL7184580 0.75 CTSC (0.34) CTSC
SCHEMBL7190130 0.74 DPP4 (0.52) DPP4
SCHEMBL7190126 0.74 DPP4 (0.52) DPP4
SCHEMBL7184974 0.69 DPP4 (0.32) DPP4CTSC
SCHEMBL7183875 0.69 DPP4 (0.35) DPP4
SCHEMBL7185634 0.66 BACE1 (0.50) MAPTDPP4
SCHEMBL9763185 0.66 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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 SLC6A1 585/4885SLC6A11 712/4885TSHR 2513/4885
US-20020103384-A1 Therapeutically active and selective heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP9 SLC6A1 738/4885SLC6A11 865/4885TSHR 2284/4885

“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.