SCHEMBL13436067

SCHEMBL13436067

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ GAA P10253 1/20 0.32

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
SCHEMBL13436061 0.85 MMP2 (0.41) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13436083 0.85 MMP2 (0.36) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13436064 0.84 MMP2 (0.35) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13696040 0.83 CHRNB2 (0.47) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13461937 0.81 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27740704 0.77 MMP2 (0.42) MMP2ANPEPCHRNB2CHRNA4CHRNB4
SCHEMBL13436087 0.76 MEN1 (0.34) MMP2ANPEP
SCHEMBL31664520 0.75 MEN1 (0.39) MMP2ANPEP
SCHEMBL30278791 0.75 MEN1 (0.39) MMP2ANPEP
SCHEMBL22821458 0.75 MMP2 (0.39) MMP2ANPEPCHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
WO-2007025949-A1 NOVEL CYCLOALKANE CARBOXAMIDES AS FACTOR XA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 — — WO disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 MMP2 209/4885ANPEP 223/4885CHRNB2 1633/4885

“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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