SCHEMBL23149396

SCHEMBL23149396

O=C(O)N1C[C@@H]2C(c3cc[nH]n3)[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.34
KDM5A P29375 1/20 0.33
MGLL Q99685 10/20 0.32
FAAH O00519 7/20 0.32
CNR1 P21554 1/20 0.30

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
SCHEMBL18423479 1.00 MAP3K12 (0.34) MAP3K12KDM5AMGLLFAAHCNR1
SCHEMBL23149395 1.00 MAP3K12 (0.34) MAP3K12KDM5AMGLLFAAHCNR1
SCHEMBL27148523 0.83 MGLL (0.33) MGLLFAAH
SCHEMBL18418137 0.76
SCHEMBL18866160 0.75 RAB9A (0.38) KDM5A
SCHEMBL21391903 0.74 ALDH1A1 (0.38) MGLLCNR1
SCHEMBL20585938 0.70 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL20585941 0.70 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL20585945 0.70 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL30500991 0.70 HDAC4 (0.47)

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
EP-4028401-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 EP disclosed
US-20210094971-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-20210094971-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 MAP3K12 3571/4885KDM5A 2130/4885MGLL 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.