SCHEMBL11360642

SCHEMBL11360642

CCOC(=O)C1CCN(C(=O)c2ccc(-c3cccc(CN(C)C(=O)CNC(=O)OC(C)(C)C)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ AOC3 Q16853 6/20 0.51
▸ GLA P06280 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 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
SCHEMBL11360718 0.88 AOC3 (0.54) AOC3HTR1AHTR1BHTR2AHTR2C
SCHEMBL11369957 0.86 AOC3 (0.69) AOC3
SCHEMBL11356866 0.85 AOC3 (0.71) KMT2AMEN1AOC3
SCHEMBL11360485 0.83 AOC3 (0.52) KMT2AMEN1ALDH1A1AOC3GAA
SCHEMBL12814252 0.79 AOC3 (0.54) AOC3
SCHEMBL10319556 0.79 AOC3 (0.65) AOC3
SCHEMBL11360699 0.79 PTPN2 (0.49) KMT2AAOC3NPC1
SCHEMBL11364712 0.79 AOC3 (0.53) AOC3
SCHEMBL11422215 0.78 AOC3 (0.49) AOC3
SCHEMBL11356986 0.78 AOC3 (0.53) 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-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-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
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 KMT2A 4626/4885TSHR 4678/4885MEN1 2825/4885

“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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