SCHEMBL741378

SCHEMBL741378

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.50
CTSL P07711 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
PDE4B Q07343 1/20 0.43
SYK P43405 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL3345139 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL3345137 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL716913 1.00 CPB1 (0.50) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL14169340 0.86 ALDH1A1 (0.58) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL4265690 0.85 CPB1 (0.55) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL23871461 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544185 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544476 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544213 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1
SCHEMBL18544475 0.85 ALDH1A1 (0.54) CPB1CTSLKMT2AL3MBTL1ALDH1A1

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 24 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-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-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-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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 507/4885CTSL 1845/4885KMT2A 2546/4885
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 2282/4885CTSL 2388/4885KMT2A 3495/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3108/4885CTSL 2437/4885KMT2A 3485/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CPB1 3108/4885CTSL 2437/4885KMT2A 3485/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CPB1 3417/4885CTSL 2909/4885KMT2A 3179/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CPB1 3108/4885CTSL 2437/4885KMT2A 3485/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CPB1 136/4885CTSL 1522/4885KMT2A 1453/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CPB1 3433/4885CTSL 2420/4885KMT2A 3461/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 CPB1 3850/4885CTSL 3622/4885KMT2A 1593/4885

“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.