SCHEMBL14514253

SCHEMBL14514253

CB(O)N1C[C@@H](N)[C@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.41
▸ APLNR P35414 1/20 0.30

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
SCHEMBL14651113 0.78 ALDH1A1 (0.32) —
SCHEMBL13106755 0.77 APLNR (0.36) APLNR
SCHEMBL15865735 0.73 — —
SCHEMBL12201130 0.73 GABRR1 (0.50) GABRR1APLNR
SCHEMBL13110289 0.70 PPM1B (0.37) —
SCHEMBL10202903 0.70 — —
SCHEMBL13041171 0.69 MEN1 (0.42) —
SCHEMBL13671200 0.69 MEN1 (0.42) —
SCHEMBL21682481 0.67 GABRR1 (0.48) GABRR1
SCHEMBL6791728 0.67 GABRR1 (0.48) GABRR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023644-A1 BETA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-01-24 — — US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 — — 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 (2 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-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ GABRR1 723/4885APLNR 936/4885
US-20130023644-A1 BETA-AMINO ACIDS BCAT1, MARCKS, YWHAZ GABRR1 723/4885APLNR 936/4885

“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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