SCHEMBL6792077

SCHEMBL6792077

CC(C)(C)OC(=O)NCC(N)C(=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
EPHX1 P07099 1/20 0.39
DPP7 Q9UHL4 3/20 0.38
HPGD P15428 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9963473 0.99 CTSK (0.40) CTSKITGB3ITGA2BCNR2L3MBTL1
SCHEMBL6792312 0.86 DPP7 (0.46) CTSKITGB3ITGA2BCNR2EPHX1
SCHEMBL9991969 0.86 MEN1 (0.38) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL9991959 0.86 MEN1 (0.38) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL952367 0.84 ALDH1A1 (0.44) CTSLMEN1KMT2AALDH1A1TSHR
SCHEMBL952369 0.84 ALDH1A1 (0.44) CTSLMEN1KMT2AALDH1A1TSHR
SCHEMBL13598863 0.82 MEN1 (0.54) CTSKITGB3ITGA2BCNR2DPP7
SCHEMBL14850855 0.82 ITGB3 (0.47) CTSKITGB3ITGA2BCTSLCTSB
SCHEMBL14850692 0.82 ITGB3 (0.47) CTSKITGB3ITGA2BCTSLCTSB
SCHEMBL14850864 0.80 ITGB3 (0.46) CTSKITGB3ITGA2BCTSLCTSB

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 CTSK 4502/4885ITGB3 254/4885ITGA2B 708/4885

“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.