SCHEMBL3152410

SCHEMBL3152410

O=C1CCC(c2ccc3[nH]ccc3c2)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ AHR P35869 4/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ F7 P08709 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAD51 Q06609 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ PRKDC P78527 1/20 0.36

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
SCHEMBL20721725 0.75 SLC6A4 (0.48) DRD2KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL30874306 0.75 SLC6A4 (0.48) DRD2KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL29870462 0.75 SLC6A4 (0.48) DRD2KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5632682 0.75 SLC6A4 (0.48) DRD2KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL18000304 0.72 AHR (0.48) CYP2A6CHRM1DRD2KCNH2AHR
SCHEMBL15883782 0.71 SLC6A2 (0.42) CYP2A6CHRM1DRD2KCNH2AHR
SCHEMBL30619485 0.71 SLC6A2 (0.42) CYP2A6CHRM1DRD2KCNH2AHR
SCHEMBL9099294 0.70 SLC6A2 (0.41) KCNH2NPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL28730840 0.70 CA1 (0.38) DRD2GAACA1
SCHEMBL28730844 0.70 CA1 (0.38) DRD2GAACA1

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
EP-1347950-B1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIV LOUIS PASTEUR ETABLISSEME (FR) 2010-02-17 — — EP disclosed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 — — 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-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 CYP2A6 595/4885CHRM1 297/4885DRD2 623/4885

“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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