SCHEMBL13043552

SCHEMBL13043552

NC(=O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.81
▸ FFAR4 Q5NUL3 3/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM1A O60341 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAOA P21397 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3734035 0.90 FFAR1 (1.00) FFAR1FFAR4MEN1KMT2AKDM1A
SCHEMBL13043487 0.90 FFAR1 (1.00) FFAR1FFAR4MEN1KMT2AKDM1A
SCHEMBL13043557 0.85 FFAR1 (0.60) FFAR1MAOANPC1MAPTRAB9A
SCHEMBL3741776 0.85 FFAR1 (0.60) FFAR1MAOANPC1MAPTRAB9A
SCHEMBL13043488 0.77 FFAR1 (0.75) FFAR1FFAR4MAOA
SCHEMBL3739736 0.77 FFAR1 (0.75) FFAR1FFAR4MAOA
SCHEMBL871538 0.74 SLC9A1 (0.66) FFAR1KDM1AALDH1A1MAOAMAPT
SCHEMBL4130704 0.74 SLC9A1 (0.66) FFAR1KDM1AALDH1A1MAOAMAPT
SCHEMBL7050196 0.74 SLC9A1 (0.66) FFAR1KDM1AALDH1A1MAOAMAPT
SCHEMBL5816055 0.74 SLC9A1 (0.66) FFAR1KDM1AALDH1A1MAOAMAPT

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 4 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-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

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 23/4885FFAR4 22/4885MEN1 4331/4885

“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.

Send feedback