SCHEMBL23149203

SCHEMBL23149203

O=C1COC2CCN(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)CC2N1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.59
▸ AKR1C3 P42330 1/20 0.52

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
SCHEMBL27275912 1.00 MGLL (0.59) MGLLAKR1C3
SCHEMBL22488599 1.00 MGLL (0.59) MGLLAKR1C3
SCHEMBL21730744 0.88 MGLL (0.63) MGLL
SCHEMBL21723273 0.88 MGLL (0.63) MGLL
SCHEMBL21723274 0.88 MGLL (0.63) MGLL
SCHEMBL23149230 0.88 MGLL (0.59) MGLL
SCHEMBL22488427 0.88 MGLL (0.59) MGLL
SCHEMBL23148975 0.83 MGLL (0.69) MGLL
SCHEMBL23152243 0.83 MGLL (0.69) MGLL
SCHEMBL21730856 0.83 MGLL (0.69) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US claimed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US 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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 MGLL 3585/4885AKR1C3 301/4885

“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