SCHEMBL30409672

SCHEMBL30409672

O=C1CCC2(CN(C(=O)N3CC4(CCN(Cc5cccc(S(=O)(=O)C(F)(F)F)c5)CC4)C3)C2)N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.40
▸ CYP2D6 P10635 5/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MGLL Q99685 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GPR183 P32249 3/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL25146298 1.00 USP2 (0.40) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL25145658 0.96 CYP3A4 (0.41) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL30409712 0.96 CYP3A4 (0.41) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL30408290 0.91 CYP3A4 (0.42) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL25146160 0.91 CYP3A4 (0.42) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL25146101 0.89 MGLL (0.40) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL30410160 0.88 OPRM1 (0.42) CYP2D6CYP3A4TSHRCYP1A2MGLL
SCHEMBL25146110 0.88 OPRM1 (0.42) CYP2D6CYP3A4TSHRCYP1A2MGLL
SCHEMBL25146304 0.88 USP2 (0.38) USP2CYP2D6CYP3A4TSHRCYP1A2
SCHEMBL30408891 0.88 USP2 (0.38) USP2CYP2D6CYP3A4TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 USP2 3142/4885CYP2D6 144/4885CYP3A4 207/4885

“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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