SCHEMBL12523866

SCHEMBL12523866

COC1CN(c2ncc(N3CCN(c4cccc(COC(=O)NC(=N)N)c4)CC3)cn2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.56
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ AGXT P21549 1/20 0.37

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
SCHEMBL12526436 0.90 AOC3 (0.52) AOC3
SCHEMBL16784952 0.85 AOC3 (0.54) AOC3AGXT
SCHEMBL16784992 0.83 AOC3 (0.46) AOC3
SCHEMBL14992346 0.83 AOC3 (0.81) AOC3
Hydrochloric Acid SCHEMBL14992647 0.82 AOC3 (0.79) AOC3
SCHEMBL12523878 0.81 AOC3 (0.77) AOC3
SCHEMBL12523863 0.80 AOC3 (0.75) AOC3
SCHEMBL16785049 0.80 AOC3 (0.59) AOC3
SCHEMBL12523874 0.80 AOC3 (0.63) AOC3
SCHEMBL12523882 0.79 AOC3 (0.62) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885ITGB3 3336/4885ITGA2B 3594/4885

“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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