SCHEMBL5793534

SCHEMBL5793534

CC(C)CC(C#N)c1ccccc1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ ABCC8 Q09428 3/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ ABCC3 O15438 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ ABCC2 Q92887 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
SCHEMBL5792347 0.82 ALDH1A1 (0.39) GAAKEAP1GRM2KCNQ2MAPK1
SCHEMBL31388217 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL390826 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL17871701 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL442668 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL1964089 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL5793114 0.77 MC4R (0.49) GAAKEAP1KCNQ2MAPK1ABCC8
SCHEMBL31128130 0.77 MC4R (0.54) GAAKEAP1KCNQ2MAPK1CYP3A4
Hydrochloric Acid SCHEMBL17871800 0.76 MC4R (0.53) GAAKEAP1KCNQ2MAPK1CYP3A4
SCHEMBL12190503 0.76 KEAP1 (0.52) GAAKEAP1KCNQ2MAPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 — — US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 — — 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN GAA 433/4885KEAP1 714/4885GRM2 4818/4885

“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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