SCHEMBL16784933

SCHEMBL16784933

COCC1CCCN(c2ncc(-c3cccc(CNC(=O)NC(=N)N)c3)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 12/20 0.49
▸ SLC2A1 P11166 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ DGAT2 Q96PD7 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16785016 0.95 AOC3 (0.53) AOC3SLC2A1ROCK2
SCHEMBL16785234 0.91 AOC3 (0.49) AOC3SLC2A1ROCK2ALDH1A1DGAT2
Cadaverine Tartrate SCHEMBL14992627 0.90 AOC3 (0.51) AOC3ROCK2
Cadaverine Tartrate SCHEMBL14992626 0.90 AOC3 (0.51) AOC3ROCK2
SCHEMBL16785258 0.89 AOC3 (0.50) AOC3SLC2A1ROCK2DGAT2KDM4E
SCHEMBL16784930 0.89 AOC3 (0.48) AOC3SLC2A1ROCK2ALDH1A1KDM4E
SCHEMBL16785276 0.87 AOC3 (0.51) AOC3SLC2A1ROCK2DGAT2KDM4E
SCHEMBL12525457 0.86 AOC3 (0.50) AOC3SLC2A1ROCK2KDM4E
SCHEMBL12526482 0.86 AOC3 (0.51) AOC3SLC2A1ROCK2
SCHEMBL12525786 0.85 AOC3 (0.53) AOC3SLC2A1ROCK2

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 700/4885SLC2A1 129/4885ROCK2 622/4885

“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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