SCHEMBL25327308

SCHEMBL25327308

O=C(N1CC(c2ccc(C3(C(=O)O)CC3)cc2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ APP P05067 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ SCD5 Q86SK9 1/20 0.32
▸ FASN P49327 2/20 0.32
▸ AKR1C1 Q04828 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
SCHEMBL25324850 0.91 HSD11B1 (0.36) HSD11B1MGLLFASN
SCHEMBL25328348 0.88 HSD11B1 (0.36) HSD11B1MGLLFASN
SCHEMBL25324087 0.85 FASN (0.33) HSD11B1MGLLFASN
SCHEMBL25326311 0.84 FASN (0.36) MGLLFASN
SCHEMBL25321679 0.84 MGLL (0.42) MGLLFASN
SCHEMBL25325332 0.82 MGLL (0.32) MGLL
SCHEMBL25324787 0.81 LMNA (0.36) CYP2C9CYP2C19MGLLSCD5
SCHEMBL25325378 0.80 CA1 (0.37) FASN
SCHEMBL25325609 0.80 MGLL (0.33) MGLLSCD5FASN
SCHEMBL25325223 0.80 MGLL (0.33) MGLLSCD5FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 HSD11B1 377/4885CYP3A4 3/4885APP 1274/4885

“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