SCHEMBL20047458

SCHEMBL20047458

CC(C)c1cnc(C(C)C)c(C2CC2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
CNR2 P34972 3/20 0.32
CHRNA7 P36544 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL25790652 0.83 PDK2 (0.43) PDK2PDK4CNR2
SCHEMBL25928008 0.81 PAK4 (0.35) PDK2PDK4CNR2S1PR1S1PR3
SCHEMBL25928036 0.79 IGF1R (0.33) CNR2ADRA2AADRA2BADRA2CHRH4
SCHEMBL19754764 0.79 MAP3K12 (0.39) CNR2CHRNA7HRH4HRH3KCNH2
SCHEMBL23502433 0.79 CNR2 (0.33) CNR2
SCHEMBL15481077 0.78 EGLN2 (0.38)
SCHEMBL21161372 0.77 CNR2 (0.36) CNR2
SCHEMBL12796020 0.75 GABRA1 (0.39)
SCHEMBL26137567 0.74 CHRNA7 (0.33) CHRNA7S1PR1S1PR3
SCHEMBL13045207 0.72 CYP19A1 (0.33) CNR2

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 3 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (3 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PDK2 1915/4885PDK4 2518/4885CNR2 485/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PDK2 1915/4885PDK4 2518/4885CNR2 485/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PDK2 1915/4885PDK4 2518/4885CNR2 485/4885

“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.