SCHEMBL13618940

SCHEMBL13618940

COC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N=[N+]=[N-])C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.39
▸ KDM1A O60341 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ GAA P10253 2/20 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
SCHEMBL13618937 1.00 BTK (0.39) BTKKDM1AMMP2ANPEPMAOB
SCHEMBL15016061 0.89 BTK (0.51) BTKKDM1AMAOBMAOASYK
SCHEMBL13696126 0.89 BTK (0.51) BTKKDM1AMAOBMAOASYK
SCHEMBL15016060 0.89 BTK (0.51) BTKKDM1AMAOBMAOASYK
SCHEMBL30951784 0.86 BTK (0.37) BTKKDM1AMAOBMAOASYK
SCHEMBL13618943 0.81 CPB1 (0.45) KDM1AMAOBSYKGAA
SCHEMBL14828630 0.81 KDM1A (0.34) BTKKDM1AMMP2ANPEPMAOB
SCHEMBL13696128 0.81 NR1H2 (0.36) BTKKDM1AMAOBMAOASYK
SCHEMBL31664496 0.80 BTK (0.47) BTKKDM1AMAOBMAOACTSK
SCHEMBL14336573 0.79 SYK (0.41) BTKKDM1AMAOBMAOASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 — — EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 — — 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 (8 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885KDM1A 1134/4885MMP2 345/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BTK 13/4885KDM1A 3872/4885MMP2 1253/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MMP2 4132/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1117/4885KDM1A 3445/4885MMP2 3890/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 BTK 280/4885KDM1A 3728/4885MMP2 3914/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BTK 420/4885KDM1A 1134/4885MMP2 345/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885KDM1A 3462/4885MMP2 3967/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 BTK 1597/4885KDM1A 498/4885MMP2 3960/4885

“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.

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