SCHEMBL20047579

SCHEMBL20047579

CCCCCCCC(C)(C)c1cnc2cc(C(C)(CCCC)CCCCCCC)c(F)cc2n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 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
SCHEMBL20047687 0.85 — —
SCHEMBL20047608 0.84 CNR2 (0.38) CNR1CNR2
SCHEMBL23502590 0.78 CNR2 (0.39) CNR1CNR2
SCHEMBL20047665 0.78 CNR2 (0.39) CNR1CNR2
SCHEMBL20047686 0.78 CNR2 (0.34) CNR1CNR2
SCHEMBL20047596 0.77 ALDH1A1 (0.31) —
SCHEMBL20047678 0.76 CNR2 (0.34) CNR1CNR2
SCHEMBL20047631 0.75 TLR7 (0.36) CNR1CNR2
SCHEMBL20047597 0.74 CNR2 (0.33) CNR1CNR2
SCHEMBL23502454 0.72 ALDH1A1 (0.33) —

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 CNR1 410/4885CNR2 485/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR1 410/4885CNR2 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.

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