SCHEMBL16785266

SCHEMBL16785266

N=C(N)NC(=O)OCc1cccc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 13/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ PRKDC P78527 2/20 0.46
▸ AGXT P21549 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ SRC P12931 1/20 0.41

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
SCHEMBL12526736 0.86 AOC3 (0.71) AOC3
SCHEMBL12526733 0.82 AOC3 (0.53) AOC3SRC
SCHEMBL16785117 0.81 AOC3 (0.50) AOC3MRGPRX4PRKDC
Cadaverine Tartrate SCHEMBL14992427 0.81 AOC3 (0.74) AOC3
SCHEMBL16784952 0.81 AOC3 (0.54) AOC3AGXT
SCHEMBL16785118 0.80 AOC3 (0.71) AOC3MRGPRX4AGXT
SCHEMBL29551594 0.79 AOC3 (0.57) AOC3MRGPRX4PRKDCAGXTSRC
SCHEMBL12525465 0.79 AOC3 (0.59) AOC3
SCHEMBL12524423 0.78 AOC3 (0.71) AOC3AGXT
SCHEMBL12524431 0.78 AOC3 (0.55) 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 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 700/4885MRGPRX4 3000/4885PRKDC 964/4885

“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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