SCHEMBL29569182

SCHEMBL29569182

Fc1ccc(OCC2[C@H]3CNC[C@@H]23)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP2D6 P10635 1/20 0.41
SSTR4 P31391 1/20 0.40
MGLL Q99685 9/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
S1PR4 O95977 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL23105313 1.00 NPC1 (0.43) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL23105314 1.00 NPC1 (0.43) NPC1RAB9ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23149365 0.99 NPC1 (0.42) NPC1RAB9ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23149362 0.99 NPC1 (0.42) NPC1RAB9ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23149364 0.99 NPC1 (0.42) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL26763939 0.86 NPC1 (0.44) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL23105351 0.86 NPC1 (0.44) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL19834182 0.85 MGLL (0.47) NPC1RAB9ASLC6A4SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL23091763 0.77 NPC1 (0.45) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL19833906 0.77 MGLL (0.50) NPC1RAB9ASLC6A4SLC6A2SLC6A3

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 4 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-20220275005-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-09-01 US disclosed
EP-4028401-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
CN-114364682-A Compound 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one as MAGL inhibitor 豪夫迈·罗氏有限公司 2022-04-15 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-20220275005-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 NPC1 2233/4885RAB9A 1485/4885SLC6A4 4287/4885

“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.