SCHEMBL765159

SCHEMBL765159

CCOC(=O)[C@H]1CC[C@H]2O[C@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.56
PTPN1 P18031 2/20 0.56
PPP1CC P36873 2/20 0.56
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.40

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
SCHEMBL4269577 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL2318955 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL4269581 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL3340559 1.00 PPM1B (0.56) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL28222895 0.94 PPM1B (0.58) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL34475916 0.91 PPM1B (0.66) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL31162293 0.89 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL30546033 0.89 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL5116555 0.89 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL12632423 0.89 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2018-06-28 US disclosed
WO-2018011823-A1 SALT OF AMINE-PROTECTED (1S,2R,4S)-1,2-AMINO-N,N-DIMETHYLCYCLOHEXANE-4-CARBOXAMIDE MYLAN LABORATORIES LIMITED (IN) 2018-01-18 WO 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-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 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
EP-1415992-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-05-02 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
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-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-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-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

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

For each of this compound's patents that has machine-readable text (4 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-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 PPM1B 4699/4885PTPN1 4801/4885PPP1CC 4881/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R PPM1B 4399/4885PTPN1 4702/4885PPP1CC 4870/4885
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof VKORC1, CYP2C9, VKORC1L1 PPM1B 4079/4885PTPN1 3882/4885PPP1CC 3309/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PPM1B 4577/4885PTPN1 4713/4885PPP1CC 4872/4885

“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.