SCHEMBL3741023

SCHEMBL3741023

CCOC(=O)C1CC1c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP2C19 P33261 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18831798 1.00 CYP1A2 (0.47) CYP1A2CYP3A4LMNAMAOAMAPT
SCHEMBL17386220 1.00 CYP1A2 (0.47) CYP1A2CYP3A4LMNAMAOAMAPT
SCHEMBL3739339 1.00 CYP1A2 (0.47) CYP1A2CYP3A4LMNAMAOAMAPT
SCHEMBL15977387 0.87 ALDH1A1 (0.55) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL15235893 0.87 ALDH1A1 (0.55) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL6082774 0.87 ALDH1A1 (0.55) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL433974 0.86 MAPT (0.47) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL15428491 0.86 MAPT (0.47) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL14244289 0.86 MAPT (0.47) CYP1A2CYP3A4LMNAMAPTPKM
SCHEMBL28600953 0.86 MAPT (0.47) CYP1A2CYP3A4LMNAMAPTPKM

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 7 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 disclosed
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-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
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 — — 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 CYP1A2 1945/4885CYP3A4 948/4885LMNA 4367/4885

“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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