SCHEMBL13696040

SCHEMBL13696040

COC(=O)C1C[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ MMP2 P08253 2/20 0.46
▸ ANPEP P15144 2/20 0.46
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ BRD4 O60885 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GRM8 O00222 2/20 0.31
▸ GRM6 O15303 2/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ GRM3 Q14832 2/20 0.31

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
SCHEMBL27740704 0.90 MMP2 (0.42) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL31664512 0.90 MMP2 (0.42) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL15796255 0.90 MMP2 (0.42) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL13436061 0.88 MMP2 (0.41) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL13696095 0.86 MMP2 (0.47) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL14403914 0.83 MMP2 (0.40) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL13436067 0.83 MMP2 (0.38) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL22821458 0.81 MMP2 (0.39) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL13570057 0.81 MMP2 (0.39) CHRNB2CHRNA4MMP2ANPEPCHRNB4
SCHEMBL13570029 0.81 MMP2 (0.39) CHRNB2CHRNA4MMP2ANPEPCHRNB4

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 9 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
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
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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 — — US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 CHRNB2 3918/4885CHRNA4 2024/4885MMP2 3960/4885

“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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