SCHEMBL4068634

SCHEMBL4068634

O=C1CCC(=O)N1O.O=C1OCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.69
▸ MAOA P21397 5/20 0.69
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RNASEH1 O60930 1/20 0.46
▸ TYMS P04818 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPT P10636 5/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ CES1 P23141 1/20 0.38
▸ PRF1 P14222 1/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL22284 0.83 MAOA (1.00) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL29448271 0.83 MAOA (1.00) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL6903786 0.83 MAOA (1.00) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL6353583 0.83 MAOA (1.00) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL11522370 0.83 MAOA (1.00) MAOBMAOAALDH1A1KDM4EHPGD
Methyl Alcohol SCHEMBL28318378 0.81 MAOA (0.87) MAOBMAOAALDH1A1KDM4EHPGD
Bromide SCHEMBL7149637 0.81 MAOA (0.95) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL1364742 0.81 MAOA (0.95) MAOBMAOAALDH1A1KDM4EHPGD
Methane SCHEMBL11197593 0.81 MAOA (0.95) MAOBMAOAALDH1A1KDM4EHPGD
Ammonia Solution, Strong SCHEMBL11292618 0.81 MAOA (0.95) MAOBMAOAALDH1A1KDM4EHPGD

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
US-7504423-B2 α-amino acid derivatives and use thereof as medicines MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-20070049619-A1 Alpha-amino acid derivatives and use thereof as medicines MITSUBISHI PHAMA CORPORATION (JP) 2007-03-01 — — US disclosed
EP-1695969-A1 ALPHA-AMINO ACID DERIVATIVES AND USE THEREOF AS MEDICINES Mitsubishi Pharma Corporation (JP) 2006-08-30 — — EP disclosed
US-20060054290-A1 Novel catalytic activities of oxidoreductases for oxidation and or bleaching CALL HANS-PETER 2006-03-16 — — US disclosed
US-6008386-A ALPHA-AMINO ACIDS BEARING AN OXIRANE RING ON THE ALPHA CARBON IN PLACE OF THE ALPHA-PROTON; IRREVERSIBLE INHIBITORS FOR AMINO ACID DECARBOXYLASES BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) 1999-12-28 — — US disclosed
US-5705660-A Method for the synthesis of α-oxiranyl amino acids BOARD OF REGENTS, UNIVERSITY OF NEBRASKA-LINCOLN 1998-01-06 — — 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-20070049619-A1 Alpha-amino acid derivatives and use thereof as medicines DPP4, DPP7, DPP3 MAOB 2084/4885MAOA 1563/4885ALDH1A1 420/4885

“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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