SCHEMBL1504068

SCHEMBL1504068

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
CPB1 P15086 2/20 0.54
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BTK Q06187 1/20 0.46
SYK P43405 1/20 0.46
CCR2 P41597 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
PDE4B Q07343 1/20 0.43
TACR1 P25103 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10476662 1.00 ALDH1A1 (0.58) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL4265690 0.92 CPB1 (0.55) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL3305456 0.91 TSHR (0.60) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL4271202 0.91 TSHR (0.60) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL714564 0.91 CPB1 (0.60) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL715267 0.91 CPB1 (0.60) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL4267741 0.90 CPB1 (0.53) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL4267743 0.90 CPB1 (0.53) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL714915 0.89 CPB1 (0.50) ALDH1A1GAACPB1TSHRKMT2A
SCHEMBL716516 0.89 CPB1 (0.53) ALDH1A1GAACPB1TSHRKMT2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 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-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-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (10 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 ALDH1A1 3214/4885GAA 1144/4885CPB1 507/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 ALDH1A1 2105/4885GAA 4312/4885CPB1 3850/4885
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 ALDH1A1 3430/4885GAA 4757/4885CPB1 2282/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885GAA 4788/4885CPB1 3108/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885GAA 4788/4885CPB1 3108/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3529/4885GAA 4849/4885CPB1 3417/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885GAA 4788/4885CPB1 3108/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ALDH1A1 793/4885GAA 2113/4885CPB1 136/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ALDH1A1 3734/4885GAA 4829/4885CPB1 3433/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ALDH1A1 2109/4885GAA 4278/4885CPB1 2994/4885

“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.