SCHEMBL25252026

SCHEMBL25252026

O=C(O)N1CC(C#Cc2ccccc2C(F)F)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL21722898 0.78 PTGDR2 (0.41) RORC
SCHEMBL25295205 0.73 SLC6A2 (0.31) —
SCHEMBL25302540 0.73 IRAK4 (0.31) —
SCHEMBL30700449 0.72 HSD11B1 (0.31) —
SCHEMBL32664208 0.71 MGLL (0.52) —
SCHEMBL21730877 0.71 MGLL (0.52) —
SCHEMBL22462777 0.69 KDM1A (0.37) —
SCHEMBL22530910 0.68 NOTUM (0.38) RORC
SCHEMBL21722921 0.68 RAB9A (0.43) RORC
SCHEMBL21722797 0.66 AR (0.35) —

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY HDAC8 2323/4885RORC 1489/4885MAPK1 3732/4885

“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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