SCHEMBL30012082

SCHEMBL30012082

O=C(N1CC2(CC(n3cnc(C4CC4)n3)C2)C1)N1CC2(CCN(Cc3ccc(C(F)(F)F)nn3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.54
▸ CYP3A4 P08684 6/20 0.33
▸ TSHR P16473 6/20 0.33
▸ USP2 O75604 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FAAH O00519 6/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL27246221 1.00 MGLL (0.54) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL27246228 0.93 MGLL (0.57) MGLLCYP3A4CYP2D6
SCHEMBL30013286 0.93 MGLL (0.57) MGLLCYP3A4CYP2D6
SCHEMBL30720224 0.88 MGLL (0.55) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL27246255 0.88 MGLL (0.55) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL27246243 0.87 MGLL (0.54) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL30013446 0.87 MGLL (0.54) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL27246300 0.87 MGLL (0.54) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL30013123 0.83 MGLL (0.55) MGLLCYP3A4TSHRUSP2CYP1A2
SCHEMBL27246222 0.83 MGLL (0.55) MGLLCYP3A4TSHRUSP2CYP1A2

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 5 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
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN 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 4524/4885CYP3A4 17/4885TSHR 1977/4885

“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.

Send feedback