SCHEMBL20047686

SCHEMBL20047686

CCCCCCCC(C)(CCCC)c1cc(F)c2nc(C(C)(C)CCCCCC)cnc2c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.34
▸ CNR1 P21554 13/20 0.33
▸ TLR8 Q9NR97 2/20 0.31
▸ GRIN2B Q13224 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
SCHEMBL23502571 0.92 TLR7 (0.32) CNR2TLR8GRIN2B
SCHEMBL20047627 0.91 TLR8 (0.32) TLR8GRIN2B
SCHEMBL20047619 0.85 CNR2 (0.32) CNR2CNR1
SCHEMBL23502591 0.85 — —
SCHEMBL20047612 0.84 CNR2 (0.45) CNR2CNR1
SCHEMBL20047666 0.84 CNR2 (0.45) CNR2CNR1
SCHEMBL20047607 0.84 CNR2 (0.36) CNR2CNR1
SCHEMBL20047602 0.83 CNR2 (0.33) CNR2CNR1TLR8
SCHEMBL20047665 0.80 CNR2 (0.39) CNR2CNR1
SCHEMBL23502590 0.80 CNR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885TLR8 901/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885TLR8 901/4885

“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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