SCHEMBL27139999

SCHEMBL27139999

O=C(N1CC2(CC(Cc3ccc(F)cc3F)C2)C1)N1CC2(CC(c3cncc(F)c3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.37
▸ HDAC4 P56524 8/20 0.36
▸ GPR6 P46095 7/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL30011824 1.00 MGLL (0.37) MGLLHDAC4GPR6ABHD6HTR2A
SCHEMBL27139040 0.87 MGLL (0.36) MGLLGPR6HTR2AHTR2C
SCHEMBL30012117 0.82 MGLL (0.41) MGLLGPR6
SCHEMBL27147661 0.80 PTGS2 (0.39) HTR2AHTR2C
SCHEMBL25324828 0.80 MGLL (0.40) MGLLGPR6HTR2AHTR2C
SCHEMBL27246264 0.79 MGLL (0.40) MGLLGPR6HTR2AHTR2C
SCHEMBL30012659 0.78 MGLL (0.40) MGLLHDAC4ABHD6
SCHEMBL27151949 0.78 MGLL (0.40) MGLLHDAC4ABHD6
SCHEMBL23150537 0.78 HTR2A (0.40) GPR6HTR2AHTR2C
SCHEMBL30013207 0.77 MGLL (0.49) MGLLHDAC4ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US 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

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 4524/4885HDAC4 1611/4885GPR6 2690/4885

“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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