SCHEMBL2938563

SCHEMBL2938563

N[C@@H]1CC(NC(=O)O)CC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.66
PYGL P06737 5/20 0.50
F10 P00742 10/20 0.49
EHMT2 Q96KQ7 1/20 0.48
F2 P00734 2/20 0.48
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PYGM P11217 2/20 0.46

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
SCHEMBL2938562 1.00 SMYD3 (0.66) SMYD3PYGLF10EHMT2F2
SCHEMBL4948303 1.00 SMYD3 (0.66) SMYD3PYGLF10EHMT2F2
SCHEMBL2940103 0.92 SMYD3 (0.66) SMYD3PYGLF10EHMT2F2
SCHEMBL2940098 0.92 SMYD3 (0.66) SMYD3PYGLF10EHMT2F2
SCHEMBL2999845 0.92 SMYD3 (0.66) SMYD3PYGLF10EHMT2F2
SCHEMBL1855761 0.87 SMYD3 (0.70) SMYD3PYGLF10EHMT2F7
SCHEMBL15044999 0.87 SMYD3 (0.70) SMYD3PYGLF10EHMT2F7
SCHEMBL1855759 0.87 SMYD3 (0.70) SMYD3PYGLF10EHMT2F7
Hydrochloric Acid SCHEMBL2936213 0.86 SMYD3 (0.61) SMYD3PYGLF10EHMT2F7
Hydrochloric Acid SCHEMBL2936214 0.86 SMYD3 (0.61) SMYD3PYGLF10EHMT2F7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 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-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 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-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-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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 SMYD3 2701/4885PYGL 1509/4885F10 4/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SMYD3 4107/4885PYGL 1260/4885F10 152/4885
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 SMYD3 3410/4885PYGL 4129/4885F10 9/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885F10 196/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885F10 196/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R SMYD3 3513/4885PYGL 3803/4885F10 196/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3311/4885PYGL 4049/4885F10 72/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SMYD3 3773/4885PYGL 3554/4885F10 127/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMYD3 3337/4885PYGL 3866/4885F10 138/4885

“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.