SCHEMBL3739736

SCHEMBL3739736

O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2ccc(-c3ccccn3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.75
▸ ITK Q08881 1/20 0.46
▸ MAOA P21397 1/20 0.43
▸ FFAR4 Q5NUL3 2/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42

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
SCHEMBL13043488 1.00 FFAR1 (0.75) FFAR1ITKMAOAFFAR4CYP4F2
SCHEMBL13043557 0.90 FFAR1 (0.60) FFAR1ITKMAOA
SCHEMBL3741776 0.90 FFAR1 (0.60) FFAR1ITKMAOA
SCHEMBL13043487 0.86 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL3734035 0.86 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL13043524 0.78 FFAR1 (0.71) FFAR1MAOACYP4F2CYP4A11
SCHEMBL3749297 0.78 FFAR1 (0.71) FFAR1MAOACYP4F2CYP4A11
SCHEMBL13043552 0.77 FFAR1 (0.81) FFAR1MAOAFFAR4
SCHEMBL10259576 0.77 FFAR1 (0.65) FFAR1FFAR4
SCHEMBL3739289 0.75 FFAR1 (0.75) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 — — US claimed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 — — US claimed
WO-2005051890-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 SMITHKLINE BEECHAM CORPORATION (US) 2005-06-09 — — WO claimed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 — — US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 — — US disclosed
WO-2005051890-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 SMITHKLINE BEECHAM CORPORATION (US) 2005-06-09 — — 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 (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-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 FFAR1 23/4885ITK 3613/4885MAOA 3479/4885

“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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