SCHEMBL13696095

SCHEMBL13696095

COC(=O)[C@H]1CC(N=[N+]=[N-])C(N=[N+]=[N-])C[C@H]1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.47
▸ ANPEP P15144 2/20 0.47
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ CYP2C19 P33261 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL13696040 0.86 CHRNB2 (0.47) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL14828631 0.84 MMP2 (0.40) MMP2ANPEPCYP1A2HSD17B10CYP3A4
SCHEMBL13530898 0.82 MMP2 (0.40) MMP2ANPEPCHRM2CHRM4CHRM3
SCHEMBL31664512 0.80 MMP2 (0.42) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL15796255 0.80 MMP2 (0.42) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL18212292 0.78 MMP2 (0.35) MMP2ANPEP
SCHEMBL27740704 0.77 MMP2 (0.42) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13436061 0.75 MMP2 (0.41) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL8226507 0.75 CHRM2 (0.52) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL2965074 0.75 CHRM2 (0.52) CYP1A2HSD17B10CYP3A4CYP2D6TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MMP2 3960/4885ANPEP 2693/4885CYP1A2 238/4885

“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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