SCHEMBL13618943

SCHEMBL13618943

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OCc2ccccc2)C[C@H]1N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ CCR2 P41597 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TACR1 P25103 1/20 0.35

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
SCHEMBL27621595 1.00 CPB1 (0.45) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL3345137 0.83 CPB1 (0.50) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL741378 0.83 CPB1 (0.50) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL3345139 0.83 CPB1 (0.50) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL716913 0.83 CPB1 (0.50) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL13618940 0.81 BTK (0.39) GAAKDM1AMAOBSYK
SCHEMBL13618937 0.81 BTK (0.39) GAAKDM1AMAOBSYK
SCHEMBL30951785 0.81 CPB1 (0.48) CPB1ALDH1A1GAATSHRCA1
SCHEMBL14169340 0.81 ALDH1A1 (0.58) CPB1KMT2AL3MBTL1CTSLALDH1A1
SCHEMBL14909922 0.80 PDE4B (0.49) KMT2AL3MBTL1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US 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 CPB1 136/4885KMT2A 1453/4885L3MBTL1 4055/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CPB1 507/4885KMT2A 2546/4885L3MBTL1 1698/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3108/4885KMT2A 3485/4885L3MBTL1 385/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3417/4885KMT2A 3179/4885L3MBTL1 309/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CPB1 2714/4885KMT2A 3693/4885L3MBTL1 1605/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CPB1 136/4885KMT2A 1453/4885L3MBTL1 4055/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CPB1 3433/4885KMT2A 3461/4885L3MBTL1 297/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 CPB1 3850/4885KMT2A 1593/4885L3MBTL1 712/4885

“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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