SCHEMBL1503872

SCHEMBL1503872

CCOC(=O)[C@@H]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
EHMT2 Q96KQ7 1/20 0.49
F10 P00742 17/20 0.48
PYGL P06737 1/20 0.47
F2 P00734 1/20 0.46
PLAT P00750 1/20 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
SCHEMBL763991 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL765470 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL1504009 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL10476677 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL10476645 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL3308688 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL10476595 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL3338646 1.00 MEN1 (0.53) MEN1RAB9AKMT2AATMEHMT2
SCHEMBL10279946 0.92 RAB9A (0.52) MEN1RAB9AKMT2AATMF10
SCHEMBL3342385 0.91 F10 (0.53) EHMT2F10F2PLAT

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 13 patents. 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
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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-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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MEN1 208/4885RAB9A 3604/4885KMT2A 1593/4885
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 MEN1 726/4885RAB9A 3368/4885KMT2A 3495/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MEN1 457/4885RAB9A 3294/4885KMT2A 3485/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R MEN1 507/4885RAB9A 3393/4885KMT2A 3179/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 MEN1 989/4885RAB9A 1678/4885KMT2A 3693/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MEN1 457/4885RAB9A 3294/4885KMT2A 3485/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MEN1 1094/4885RAB9A 2734/4885KMT2A 1453/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 MEN1 208/4885RAB9A 3604/4885KMT2A 1593/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MEN1 226/4885RAB9A 2158/4885KMT2A 980/4885

“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.