SCHEMBL21161200

SCHEMBL21161200

CCCCC(C)(CCC)c1ccc2nc(C(C)(C)C)cnc2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 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
SCHEMBL21161311 0.89 PDE10A (0.32) PDE10AESR1ESR2
SCHEMBL23502581 0.88 ESR1 (0.30) ESR1ESR2
SCHEMBL20047498 0.88 CNR2 (0.33) —
SCHEMBL20047723 0.85 CNR2 (0.34) —
SCHEMBL23502590 0.85 CNR2 (0.39) —
SCHEMBL20047665 0.85 CNR2 (0.39) —
SCHEMBL23502519 0.84 PDE10A (0.32) PDE10AESR1ESR2
SCHEMBL21161036 0.79 CNR2 (0.36) —
SCHEMBL4548610 0.78 PDE10A (0.41) PDE10A
SCHEMBL23502454 0.78 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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 — — 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 PDE10A 801/4885ESR1 1588/4885ESR2 826/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 PDE10A 801/4885ESR1 1588/4885ESR2 826/4885

“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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