SCHEMBL742890

SCHEMBL742890

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.67
F10 P00742 9/20 0.56
PYGL P06737 7/20 0.55
F2 P00734 4/20 0.55
SYK P43405 1/20 0.54
EHMT2 Q96KQ7 1/20 0.53

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
SCHEMBL1860173 1.00 SMYD3 (0.67) SMYD3F10PYGLF2SYK
SCHEMBL742891 1.00 SMYD3 (0.67) SMYD3F10PYGLF2SYK
SCHEMBL1860174 1.00 SMYD3 (0.67) SMYD3F10PYGLF2SYK
Hydrochloric Acid SCHEMBL743181 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
SCHEMBL743163 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
SCHEMBL763937 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
SCHEMBL2941603 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
SCHEMBL1860170 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
SCHEMBL2940031 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK
Hydrochloric Acid SCHEMBL1857121 0.99 SMYD3 (0.66) SMYD3F10PYGLF2SYK

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 38 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-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-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-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
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-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-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US 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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 SMYD3 995/4885F10 126/4885PYGL 3056/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMYD3 3513/4885F10 196/4885PYGL 3803/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R SMYD3 3337/4885F10 138/4885PYGL 3866/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMYD3 1262/4885F10 78/4885PYGL 2722/4885

“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.