SCHEMBL4925913

SCHEMBL4925913

NC(=O)[C@@H]1CCCN1C(=O)c1cccnc1S

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.49
▸ SPHK2 Q9NRA0 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ CNR2 P34972 5/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ F2 P00734 1/20 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
SCHEMBL4925911 1.00 VNN1 (0.49) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL4916455 0.85 F2 (0.41) VNN1HSD11B1F2
SCHEMBL4916459 0.85 F2 (0.41) VNN1HSD11B1F2
SCHEMBL19970131 0.81 VNN1 (0.49) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL4927636 0.77 L3MBTL1 (0.53) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL4927632 0.77 L3MBTL1 (0.53) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL9999787 0.76 VNN1 (0.49) VNN1SPHK2SPHK1CNR2NPC1
SCHEMBL13570470 0.74 SPHK1 (0.47) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL4928248 0.73 CNR1 (0.53) VNN1SPHK2SPHK1CNR2PDK2
SCHEMBL4928259 0.73 CNR1 (0.53) VNN1SPHK2SPHK1CNR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 — — US disclosed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 — — EP disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 — — US disclosed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 — — 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 (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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 VNN1 502/4885SPHK2 3951/4885SPHK1 3145/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 VNN1 702/4885SPHK2 3883/4885SPHK1 3012/4885

“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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