SCHEMBL13618973

SCHEMBL13618973

CN(C)C(=O)[C@H]1CC[C@H](N=[N+]=[N-])[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.37
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ SYK P43405 1/20 0.31
▸ CTSK P43235 2/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30

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
SCHEMBL13631330 1.00 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618997 1.00 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL16664797 0.91 BTK (0.36) BTKMAOBMAOAKDM1ASYK
SCHEMBL30951784 0.91 BTK (0.37) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618991 0.90 MAOB (0.39) BTKMAOBMAOAKDM1ASYK
SCHEMBL19783843 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL13618972 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL16668084 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL13748220 0.87 BTK (0.51) BTKMAOBMAOAKDM1ASYK
SCHEMBL13696102 0.84 BTK (0.37) BTKMAOBMAOAKDM1ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 — — EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 — — EP disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 — — US disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 — — US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 — — US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 — — US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 — — US disclosed
EP-2407450-B1 Method for producing optically active diamine derivative DAIICHI SANKYO CO LTD (JP) 2015-04-22 — — EP disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — 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-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-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-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885MAOB 161/4885MAOA 168/4885
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F7, MAOA, F13A1 BTK 635/4885MAOB 39/4885MAOA 2/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885MAOB 2147/4885MAOA 3264/4885
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 BTK 2151/4885MAOB 96/4885MAOA 25/4885

“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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