SCHEMBL3051972

SCHEMBL3051972

COc1ccc(COCC2CC(C#N)(CC3CC3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ NAAA Q02083 2/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ SGPL1 O95470 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ AGXT P21549 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CYP19A1 P11511 1/20 0.33

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 1.00 CTSL (0.39) CTSLCTSBCTSKNAAATRPV6
SCHEMBL8240019 1.00 CTSL (0.39) CTSLCTSBCTSKNAAATRPV6
SCHEMBL3055323 0.84 NAAA (0.50) NAAAIDO1AGXT
SCHEMBL3049370 0.73 NAAA (0.43) CTSLCTSBCTSKNAAATRPV6
SCHEMBL15536619 0.70 IDO1 (0.47) TRPV6MAOBTDP1L3MBTL1IDO1
SCHEMBL31405363 0.70 MAOB (0.39) NAAATRPV6MAOBMAOATDP1
SCHEMBL26986104 0.69 CA1 (0.43) TRPV6MAOBTDP1L3MBTL1IDO1
SCHEMBL16448677 0.68 IDO1 (0.41) TRPV6MAOBMAOATDP1L3MBTL1
SCHEMBL16685703 0.68 IDO1 (0.41) NAAATRPV6MAOBTDP1L3MBTL1
SCHEMBL16448678 0.68 IDO1 (0.41) TRPV6MAOBMAOATDP1L3MBTL1

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 CTSL 3860/4885CTSB 2577/4885CTSK 3303/4885

“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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