SCHEMBL3741776

SCHEMBL3741776

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.60
▸ ITK Q08881 1/20 0.43
▸ MAOA P21397 2/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ DPP4 P27487 1/20 0.39

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
SCHEMBL13043557 1.00 FFAR1 (0.60) FFAR1ITKMAOAHIF1ACCNE1
SCHEMBL13043488 0.90 FFAR1 (0.75) FFAR1ITKMAOA
SCHEMBL3739736 0.90 FFAR1 (0.75) FFAR1ITKMAOA
SCHEMBL13043552 0.85 FFAR1 (0.81) FFAR1MAOANPC1MAPTRAB9A
SCHEMBL13043487 0.76 FFAR1 (1.00) FFAR1
SCHEMBL3734035 0.76 FFAR1 (1.00) FFAR1
SCHEMBL30301282 0.72 AURKA (0.59) HIF1ACCNE1CDK2CYP1A2CYP3A4
SCHEMBL13043524 0.68 FFAR1 (0.71) FFAR1MAOAMAPTRAB9A
SCHEMBL3749297 0.68 FFAR1 (0.71) FFAR1MAOAMAPTRAB9A
SCHEMBL30243669 0.68 GPR88 (0.45) ITKNPC1MAPTRAB9A

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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