SCHEMBL23850574

SCHEMBL23850574

O=C(O)N1CC2(CC(Oc3cc(C(F)(F)F)c(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 9/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ MGLL Q99685 6/20 0.39
▸ LIPG Q9Y5X9 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32

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
SCHEMBL30490333 0.85 P2RX3 (0.45) ABHD6LOXL2MGLLP2RX3P2RX2
SCHEMBL23849991 0.81 LIPG (0.49) ABHD6MGLLLIPGSCN9AHSD11B1
Trifluoroacetic Acid SCHEMBL23850604 0.80 P2RX3 (0.36) ABHD6LOXL2MGLLLIPGHCRTR1
SCHEMBL23850598 0.78 LOXL2 (0.40) ABHD6LOXL2MGLLFFAR1HSD11B1
SCHEMBL25409272 0.77 LOXL2 (0.41) ABHD6LOXL2MGLLFFAR1
SCHEMBL25301218 0.76 LOXL2 (0.47) ABHD6LOXL2MGLL
SCHEMBL25252074 0.75 LOXL2 (0.43) ABHD6LOXL2MGLLHCRTR1HCRTR2
SCHEMBL21813871 0.71 UGT8 (0.49) —
SCHEMBL21825422 0.71 LIPE (0.44) LIPGFFAR1
SCHEMBL21814142 0.71 LOXL2 (0.39) ABHD6LOXL2MGLLP2RX3P2RX2

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
EP-3883936-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-07-12 — — EP disclosed
US-20210387999-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-12-16 — — US disclosed
EP-3883936-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-09-29 — — 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-20210387999-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 ABHD6 2881/4885LOXL2 329/4885MGLL 1712/4885

“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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