SCHEMBL5375657

SCHEMBL5375657

C[C@@H](c1ccc(N2CC[C@H](N)C2=O)cc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
LIPE Q05469 1/20 0.35
ACHE P22303 1/20 0.34
F10 P00742 8/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL5720951 1.00 DPP4 (0.40) DPP4LIPEACHEF10CCNA2
SCHEMBL5375589 1.00 DPP4 (0.40) DPP4LIPEACHEF10CCNA2
SCHEMBL14488688 0.85 L3MBTL1 (0.44) DPP4LIPECCNA2CDK2CCNA1
SCHEMBL8299294 0.84 LIPE (0.38) LIPEACHEF10CCNA2CDK2
SCHEMBL5383382 0.79 F10 (0.54) DPP4F10
SCHEMBL27594881 0.79 GAA (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6362444 0.79 GAA (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5395798 0.77 F10 (0.39) DPP4F10CYP3A4TSHRTDP1
SCHEMBL5375562 0.77 F10 (0.39) DPP4F10CYP3A4TSHRTDP1
SCHEMBL4333242 0.77 HTT (0.47) DPP4CYP3A4TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-7235544-B2 for use in conjunction with thrombolytic agents, thus permitting the use of a lower dose of thrombolytic agent; treatment of acute vascular diseases; may have potential in neurogenerative diseases such as Parkinson's and Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-06-26 US disclosed
US-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2006-08-10 US disclosed
WO-2004110997-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-12-23 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-20060178419-A1 3-Sulfonylamino-pyrrolindine -2- one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 DPP4 525/4885LIPE 1728/4885ACHE 1400/4885

“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.