SCHEMBL3049370

SCHEMBL3049370

COc1ccc(COCC2CC(C#N)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
TRPV6 Q9H1D0 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 3/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL16685703 0.85 IDO1 (0.41) NAAAIDO1AGXTTRPV6CA1
SCHEMBL16686216 0.79 IDO1 (0.43) IDO1AGXTTRPV6CA1CA2
SCHEMBL3049685 0.79 NAAA (0.58) NAAAIDO1AGXTCTSLCTSB
SCHEMBL16448677 0.77 IDO1 (0.41) IDO1AGXTTRPV6CA1CA2
Methyl Alcohol SCHEMBL8601404 0.77 CA1 (0.42) IDO1AGXTTRPV6CA1CA2
SCHEMBL16448678 0.77 IDO1 (0.41) IDO1AGXTTRPV6CA1CA2
SCHEMBL15536619 0.76 IDO1 (0.47) IDO1AGXTTRPV6CA1CA2
SCHEMBL16685927 0.74 HTT (0.45) CA1CA2
SCHEMBL21752422 0.74 SIGMAR1 (0.49) CTSLCTSBCTSKTRPV6
SCHEMBL8233618 0.73 CTSL (0.39) NAAAIDO1AGXTCTSLCTSB

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
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
WO-2007060484-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-05-31 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 NAAA 2004/4885IDO1 243/4885AGXT 92/4885

“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.