SCHEMBL2936323

SCHEMBL2936323

N[C@@H]1CC(COCc2ccccc2)C[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 13/20 0.53
▸ SMYD3 Q9H7B4 2/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ NHERF1 O14745 2/20 0.47
▸ F10 P00742 1/20 0.47

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
SCHEMBL14197920 1.00 PYGL (0.53) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL2936321 1.00 PYGL (0.53) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL12035319 0.89 PYGL (0.55) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL4083417 0.88 PYGL (0.54) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL10476621 0.88 PYGL (0.54) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL12631299 0.88 PYGL (0.54) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL4083424 0.88 PYGL (0.54) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL4093196 0.88 PYGL (0.54) PYGLSMYD3EHMT2EGFRNHERF1
SCHEMBL12101101 0.83 SMYD3 (0.59) PYGLSMYD3EHMT2NHERF1F10
SCHEMBL1859655 0.82 PYGL (0.52) PYGLSMYD3EHMT2EGFRNHERF1

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 43 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-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — 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
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — 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
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
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (8 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL PYGL 1260/4885SMYD3 4107/4885EHMT2 4292/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 PYGL 3056/4885SMYD3 995/4885EHMT2 833/4885
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 PYGL 4129/4885SMYD3 3410/4885EHMT2 4646/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R PYGL 3803/4885SMYD3 3513/4885EHMT2 4507/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R PYGL 3803/4885SMYD3 3513/4885EHMT2 4507/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 PYGL 1509/4885SMYD3 2701/4885EHMT2 2085/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R PYGL 3866/4885SMYD3 3337/4885EHMT2 4458/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 PYGL 2722/4885SMYD3 1262/4885EHMT2 495/4885

“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.

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