SCHEMBL3055323

SCHEMBL3055323

COc1ccc(COC2CC(C#N)(CC3CC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 10/20 0.50
▸ IDO1 P14902 2/20 0.36
▸ AGXT P21549 2/20 0.36
▸ REN P00797 2/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8233618 0.84 CTSL (0.39) NAAAIDO1AGXT
SCHEMBL8240019 0.84 CTSL (0.39) NAAAIDO1AGXT
SCHEMBL3051972 0.84 CTSL (0.39) NAAAIDO1AGXT
SCHEMBL14734287 0.76 NAAA (0.52) NAAAIDO1AGXT
SCHEMBL15883399 0.74 NAAA (0.50) NAAAIDO1AGXT
SCHEMBL27034936 0.74 NAAA (0.47) NAAANPC1RAB9ASMN1; SMN2
SCHEMBL14734276 0.72 NAAA (0.48) NAAAIDO1AGXTRENTACR1
SCHEMBL18615761 0.71 NAAA (0.54) NAAAIDO1AGXTREN
SCHEMBL14734277 0.71 NAAA (0.46) NAAAIDO1AGXTSMN1; SMN2
SCHEMBL3049685 0.71 NAAA (0.58) NAAAIDO1AGXT

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 5 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
EP-1960360-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-08-27 — — EP disclosed
WO-2007060484-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-05-31 — — WO 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.

Send feedback