SCHEMBL16785118

SCHEMBL16785118

N=C(N)NC(=O)OCc1cccc(N2CCC(N3CCOCC3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 11/20 0.71
▸ AGXT P21549 1/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ L3MBTL3 Q96JM7 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MBTD1 Q05BQ5 1/20 0.43
▸ TP53BP1 Q12888 1/20 0.43
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL12524423 0.92 AOC3 (0.71) AOC3AGXTTMEM97SIGMAR1ITGB3
SCHEMBL16785227 0.85 AOC3 (0.54) AOC3TMEM97SIGMAR1L3MBTL3L3MBTL1
SCHEMBL16784952 0.81 AOC3 (0.54) AOC3AGXT
SCHEMBL16785266 0.80 AOC3 (0.53) AOC3AGXTMRGPRX4
SCHEMBL16785186 0.80 AOC3 (0.68) AOC3AGXTITGB3ITGA2B
SCHEMBL16785191 0.79 AOC3 (0.53) AOC3
SCHEMBL12524392 0.76 AOC3 (0.69) AOC3ITGB3ITGA2B
SCHEMBL28764461 0.75 AGXT (0.68) AOC3AGXTITGB3ITGA2BMRGPRX4
SCHEMBL12525682 0.75 AOC3 (0.62) AOC3AGXTL3MBTL3L3MBTL1MBTD1
SCHEMBL16785122 0.74 AOC3 (0.70) 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 700/4885AGXT 2111/4885TMEM97 1586/4885

“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.

Send feedback