SCHEMBL30013112

SCHEMBL30013112

CS(=O)(=O)c1cccc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5ccc(C(F)(F)F)nc5)C4)C2)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.41
▸ NR1H3 Q13133 14/20 0.41
▸ MGLL Q99685 3/20 0.38
▸ CACNA1B Q00975 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL27246348 1.00 NR1H2 (0.41) NR1H2NR1H3MGLLCACNA1BP2RX7
SCHEMBL30012545 0.90 MGLL (0.40) NR1H2NR1H3MGLL
SCHEMBL30011240 0.87 MGLL (0.40) NR1H2NR1H3MGLL
SCHEMBL27246292 0.87 MGLL (0.40) NR1H2NR1H3MGLL
SCHEMBL30012263 0.85 MGLL (0.42) MGLL
SCHEMBL27246270 0.85 MGLL (0.42) MGLL
SCHEMBL27149307 0.80 HRH3 (0.43) MGLL
SCHEMBL30720264 0.80 HRH3 (0.43) MGLL
SCHEMBL30013245 0.80 MGLL (0.42) MGLL
SCHEMBL27246382 0.80 MGLL (0.42) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 NR1H2 1324/4885NR1H3 1396/4885MGLL 4524/4885

“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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