SCHEMBL16785122

SCHEMBL16785122

N=C(N)NC(=O)OCc1cccc(N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 7/20 0.70
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TGM2 P21980 1/20 0.42

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
SCHEMBL16785186 0.85 AOC3 (0.68) AOC3LMNASMN1; SMN2DRD2ITGB3
SCHEMBL12524392 0.84 AOC3 (0.69) AOC3ALDH1A1LMNASMN1; SMN2ITGB3
SCHEMBL16785195 0.83 AOC3 (0.49) AOC3MAPTITGB3KDM4ETGM2
SCHEMBL16784952 0.79 AOC3 (0.54) AOC3
SCHEMBL12524445 0.78 AOC3 (0.53) AOC3
SCHEMBL16785191 0.78 AOC3 (0.53) AOC3
SCHEMBL12523866 0.77 AOC3 (0.56) AOC3ITGB3
SCHEMBL20830071 0.77 AOC3 (0.70) AOC3
SCHEMBL12526749 0.77 ITGB3 (0.60) AOC3ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL12524423 0.77 AOC3 (0.71) AOC3ITGB3

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 6 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
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP 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

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 700/4885RAB9A 697/4885ALDH1A1 1249/4885

“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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