SCHEMBL714949

SCHEMBL714949

CCOC(=O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
SYK P43405 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR2 P41597 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
PDE4B Q07343 1/20 0.41
TACR1 P25103 2/20 0.41
CTSL P07711 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL713199 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL716516 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL714522 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL715808 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4265690 0.93 CPB1 (0.55) CPB1ALDH1A1GAATSHRSYK
SCHEMBL715267 0.92 CPB1 (0.60) CPB1ALDH1A1GAATSHRSYK
SCHEMBL714564 0.92 CPB1 (0.60) CPB1ALDH1A1GAATSHRSYK
SCHEMBL1504068 0.89 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL10476662 0.89 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4271202 0.88 TSHR (0.60) CPB1ALDH1A1GAATSHRSYK

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 26 patents — showing the first 20. 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
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-20120053349-A1 OXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-01 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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 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
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060252837-A1 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 PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CPB1 507/4885ALDH1A1 3214/4885GAA 1144/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 CPB1 3850/4885ALDH1A1 2105/4885GAA 4312/4885
US-20060252837-A1 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 F2, C1S, C9 CPB1 2282/4885ALDH1A1 3430/4885GAA 4757/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3108/4885ALDH1A1 3319/4885GAA 4788/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3417/4885ALDH1A1 3529/4885GAA 4849/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CPB1 136/4885ALDH1A1 793/4885GAA 2113/4885
US-20120053349-A1 OXAMIDE DERIVATIVE SULT1E1, PKD2, PKD1 CPB1 2328/4885ALDH1A1 299/4885GAA 3639/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CPB1 2994/4885ALDH1A1 2109/4885GAA 4278/4885

“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.