SCHEMBL19633835

SCHEMBL19633835

CCCC(C)(C)c1cncc(C(C)(C)CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.35
CNR1 P21554 5/20 0.35
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
AR P10275 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
SCHEMBL19274420 0.94 CNR2 (0.33) CNR2CNR1
SCHEMBL18516838 0.88 CNR2 (0.36) CNR2CNR1ESR1ESR2AR
SCHEMBL20243855 0.86 ESR1 (0.39) CNR2CNR1ESR1ESR2AR
SCHEMBL19251066 0.86 HCAR2 (0.32) CNR2CNR1ESR1ESR2AR
SCHEMBL19963868 0.86 CNR2 (0.33) CNR2CNR1
SCHEMBL25006036 0.86 CNR1 (0.31) CNR2CNR1
SCHEMBL19251107 0.86 CHRNB2 (0.35) CNR2CNR1
SCHEMBL19251089 0.83 CHRNB2 (0.39) CNR2CNR1
SCHEMBL18381788 0.82 CYP19A1 (0.40) CNR2CNR1ESR1ESR2
SCHEMBL19251665 0.82 CYP11B2 (0.39) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 CNR2 564/4885CNR1 486/4885ESR1 1519/4885

“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.