SCHEMBL2520163

SCHEMBL2520163

CC(C)(C)OC(=O)NC(CC1CCCO1)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.49
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ AAK1 Q2M2I8 2/20 0.41
▸ CXCR2 P25025 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CTSK P43235 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ GLA P06280 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
SCHEMBL4109054 1.00 GRM5 (0.49) GRM5NPC1RAB9ASCN9AAAK1
SCHEMBL4103721 0.91 GRM5 (0.47) GRM5NPC1RAB9ASCN9AAAK1
SCHEMBL4102259 0.86 AAK1 (0.48) GRM5SCN9AAAK1CTSSCTSK
SCHEMBL2668326 0.83 GRM5 (0.54) GRM5NPC1RAB9ACXCR2HCAR3
SCHEMBL4114224 0.83 GRM5 (0.50) GRM5NPC1RAB9ACXCR2HCAR3
SCHEMBL12201476 0.81 GRM5 (0.56) GRM5NPC1RAB9ACXCR2HCAR3
SCHEMBL12201477 0.78 GRM5 (0.52) GRM5NPC1RAB9ACXCR2HCAR3
SCHEMBL4103735 0.78 GRM5 (0.52) GRM5NPC1RAB9ACXCR2HCAR3
SCHEMBL4114863 0.78 GRM5 (0.42) GRM5AAK1CTSSCTSK
SCHEMBL4114293 0.78 GRM5 (0.46) GRM5NPC1RAB9ACXCR2HCAR3

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-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — 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 (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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM5 2182/4885NPC1 2933/4885RAB9A 3070/4885

“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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