SCHEMBL27246486

SCHEMBL27246486

O=C(N1CC(OCc2ccc(S(F)(F)(F)(F)F)cc2F)C1)N1CC2(CC(n3cnc(C4CC4)c3)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ FAAH O00519 1/20 0.33

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
SCHEMBL27145253 0.90 MGLL (0.36) MGLLFAAH
SCHEMBL27139210 0.89 FAAH (0.37) MGLLFAAH
SCHEMBL27246316 0.87 ENPP2 (0.38) MGLL
SCHEMBL27246524 0.85 MGLL (0.47) MGLLALOX5APFEN1FAAH
SCHEMBL27143135 0.84 MGLL (0.45) MGLLFAAH
SCHEMBL27246248 0.79 MGLL (0.39) MGLL
SCHEMBL27151411 0.78 NAAA (0.40) MGLLFAAH
SCHEMBL27246339 0.76 MGLL (0.47) MGLLFAAH
SCHEMBL25297788 0.72 NAAA (0.36) MGLLALOX5APFEN1FAAH
SCHEMBL27154641 0.71 MGLL (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — 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 (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 MGLL 4524/4885ALOX5AP 2646/4885FEN1 3253/4885

“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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