SCHEMBL740910

SCHEMBL740910

COC(=O)c1nc2c(o1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NR1H2 P55055 2/20 0.44
ESR2 Q92731 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 2/20 0.37
MTOR P42345 2/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
C5AR1 P21730 1/20 0.36
ENPP2 Q13822 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL156126 0.89 NR1H2 (0.41) MAPTNR1H2USP2SMN1; SMN2MTOR
SCHEMBL31409400 0.88 MAPT (0.44) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL31409384 0.87 ADORA1 (0.48) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL16217179 0.82 MAPT (0.46) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL31409414 0.81 MAPT (0.45) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL17327923 0.81 MAPT (0.45) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL16220569 0.81 MAPT (0.45) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL743031 0.79 MAPT (0.43) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL31409387 0.79 HDAC4 (0.43) MAPTNR1H2ESR2GRAMD1AUSP2
SCHEMBL29222075 0.79 MAPT (0.43) MAPTNR1H2ESR2USP2SMN1; SMN2

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 64 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-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 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-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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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 (6 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MAPT 4475/4885NR1H2 1852/4885ESR2 129/4885
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 MAPT 4451/4885NR1H2 784/4885ESR2 1491/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885NR1H2 1079/4885ESR2 1879/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885NR1H2 1079/4885ESR2 1879/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPT 4271/4885NR1H2 1079/4885ESR2 1879/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPT 4605/4885NR1H2 2047/4885ESR2 120/4885

“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.