SCHEMBL21398054

SCHEMBL21398054

CC(C)c1noc(C(C)C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL786607 0.83 HTT (0.41) GPR119MAOAMAOBHTTIDH1
SCHEMBL10103736 0.78 GPR119 (0.34) GPR119MAOAMAOB
SCHEMBL10153364 0.78 GPR119 (0.34) GPR119MAOAMAOB
SCHEMBL15114568 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL669614 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL25017499 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL11202337 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL1091056 0.77 GPR119 (0.43) GPR119MAOAMAOBHTTIDH1
SCHEMBL1090338 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1
SCHEMBL9449631 0.77 GPR119 (0.36) GPR119MAOAMAOBHTTIDH1

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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-20190292173-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2019-09-26 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 (2 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-20190292173-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR3, GPR39 GPR119 1/4885MAOA 2368/4885MAOB 1703/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GPR119 10/4885MAOA 3157/4885MAOB 2863/4885

“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.