SCHEMBL2668326

SCHEMBL2668326

O=C(Nc1ccc(F)cn1)[C@H](CC1CCCO1)NCl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.54
▸ HCAR3 P49019 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CXCR2 P25025 1/20 0.42
▸ FFAR2 O15552 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PDF Q9HBH1 1/20 0.38
▸ MAPT P10636 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
SCHEMBL4114224 0.86 GRM5 (0.50) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL12201476 0.86 GRM5 (0.56) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL12201477 0.85 GRM5 (0.52) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL4103735 0.85 GRM5 (0.52) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL2520163 0.83 GRM5 (0.49) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL4109054 0.83 GRM5 (0.49) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL2668369 0.83 GRM5 (0.48) GRM5FFAR2PDF
SCHEMBL4114293 0.81 GRM5 (0.46) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL4103721 0.79 GRM5 (0.47) GRM5HCAR3RAB9ANPC1CXCR2
SCHEMBL2513021 0.77 GRM5 (0.46) GRM5FFAR2POLB

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-8173645-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2012-05-08 — — US disclosed
US-20090099163-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2009-04-16 — — US disclosed
WO-2008116107-A2 PIPERAZINE DERIVATIVES AS GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2008-09-25 — — 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-20090099163-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GRM5 2182/4885HCAR3 3290/4885RAB9A 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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