SCHEMBL11423711

SCHEMBL11423711

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 15/20 0.60
▸ HTR5A P47898 2/20 0.59
▸ ACHE P22303 3/20 0.53
▸ BACE1 P56817 3/20 0.53
▸ BCHE P06276 1/20 0.53

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
SCHEMBL11419285 0.86 DRD2 (0.61) AOC3
SCHEMBL11422630 0.86 HTR5A (0.52) AOC3HTR5AACHEBACE1BCHE
SCHEMBL11365217 0.86 AOC3 (0.66) AOC3
SCHEMBL19496744 0.86 AOC3 (0.64) AOC3
SCHEMBL19496656 0.85 HTR5A (0.69) HTR5AACHEBACE1BCHE
Oxalic Acid SCHEMBL10319591 0.85 DRD2 (0.60) AOC3
SCHEMBL11359389 0.85 AOC3 (0.60) AOC3
SCHEMBL11365260 0.85 AOC3 (0.62) AOC3
SCHEMBL11362833 0.84 AOC3 (0.61) AOC3
Hydrochloric Acid SCHEMBL10320413 0.84 AOC3 (0.63) 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 3 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

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 AOC3 894/4885HTR5A 4080/4885ACHE 4442/4885

“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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