SCHEMBL11422630

SCHEMBL11422630

CN(Cc1cccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)cc2)c1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 2/20 0.52
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACHE P22303 9/20 0.46
▸ BACE1 P56817 9/20 0.46
▸ BCHE P06276 6/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ SUCNR1 Q9BXA5 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 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
SCHEMBL11366530 0.87 KMT2A (0.52) KMT2AMCHR1AOC3
SCHEMBL11423711 0.86 AOC3 (0.60) HTR5AACHEBACE1BCHEAOC3
SCHEMBL11421859 0.85 DRD2 (0.60) MCHR1
SCHEMBL11357938 0.85 CHRM4 (0.49) ACHESUCNR1AOC3NPFFR1NPFFR2
SCHEMBL11419626 0.85 HDAC3 (0.51) ACHEBCHEAOC3
SCHEMBL11424224 0.83 USP30 (0.49) MEN1KMT2AACHEBCHEMCHR1
SCHEMBL19496656 0.79 HTR5A (0.69) HTR5AMEN1KMT2AACHEBACE1
SCHEMBL11422215 0.78 AOC3 (0.49) AOC3
SCHEMBL11356204 0.78 AOC3 (0.51) AOC3
SCHEMBL11357366 0.78 AOC3 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 — — US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 — — 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB HTR5A 4080/4885MEN1 2825/4885KMT2A 4626/4885

“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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