SCHEMBL6793150

SCHEMBL6793150

NCC(NC(=O)OCc1ccccc1)C(=O)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
KCNH2 Q12809 1/20 0.58
DPP7 Q9UHL4 1/20 0.58
CTSK P43235 8/20 0.51
CTSL P07711 6/20 0.51
CTSS P25774 4/20 0.51
TGM2 P21980 5/20 0.49
CTSB P07858 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TACR1 P25103 1/20 0.49
OPRK1 P41145 1/20 0.48
F13A1 P00488 1/20 0.48
TGM1 P22735 1/20 0.48

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
SCHEMBL6824003 0.91 DPP4 (0.53) DPP4KCNH2DPP7CTSKCTSL
SCHEMBL6823999 0.91 DPP4 (0.53) DPP4KCNH2DPP7CTSKCTSL
SCHEMBL8238323 0.88 MEN1 (0.56) DPP4KCNH2DPP7CTSKCTSL
SCHEMBL9003099 0.88 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL9003092 0.88 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL7145146 0.88 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL7145151 0.88 CASP1 (0.58) DPP4KCNH2DPP7CTSK
SCHEMBL7294359 0.87 DPP4 (0.58) DPP4KCNH2DPP7TGM2F13A1
SCHEMBL25185922 0.86 CASP1 (0.59) DPP4KCNH2DPP7CTSKCTSL
SCHEMBL9197198 0.86 DPP4 (0.52) DPP4KCNH2DPP7CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
CN-1164232-A Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LTD (GB) 1997-11-05 CN disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 DPP4 3442/4885KCNH2 255/4885DPP7 3933/4885

“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.