SCHEMBL1504014

SCHEMBL1504014

COCC(COC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
CA14 Q9ULX7 2/20 0.36
TSHR P16473 2/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
MME P08473 1/20 0.34
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL8497696 0.85 CA1 (0.41) CA1CA2SMN1; SMN2KMT2ACA14
SCHEMBL28244713 0.84 CA1 (0.53) CA1CA2SMN1; SMN2KMT2ATSHR
SCHEMBL4939390 0.84 CA1 (0.39) CA1CA2SMN1; SMN2KMT2ACA14
SCHEMBL819943 0.84 MME (0.47) CA1CA2SMN1; SMN2KMT2ACA14
SCHEMBL13502938 0.81 CA1 (0.31) CA1CA2SMN1; SMN2KMT2ATSHR
SCHEMBL15624688 0.80 CA1 (0.34) CA1CA2SMN1; SMN2KMT2A
SCHEMBL888641 0.80 SMN1; SMN2 (0.39) CA1CA2SMN1; SMN2KMT2ACA14
SCHEMBL29636413 0.79 GAA (0.46) CA1CA2KMT2ATSHRALDH1A1
SCHEMBL28386598 0.78 SMN1; SMN2 (0.42) CA1CA2SMN1; SMN2KMT2ACA14
SCHEMBL888423 0.77 CA1 (0.43) CA1CA2SMN1; SMN2KMT2ACA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US 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
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 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-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 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
EP-1577301-A1 DIAMINE 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
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

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-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 CA1 1171/4885CA2 4301/4885SMN1; SMN2 1044/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CA1 2347/4885CA2 4658/4885SMN1; SMN2 473/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R CA1 2347/4885CA2 4658/4885SMN1; SMN2 473/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CA1 2347/4885CA2 4658/4885SMN1; SMN2 473/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CA1 2347/4885CA2 4658/4885SMN1; SMN2 473/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CA1 2310/4885CA2 4684/4885SMN1; SMN2 656/4885

“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.