SCHEMBL30396039

SCHEMBL30396039

FC(F)(F)c1ccc(OC2CCC3(CC2)CNC3)nn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ SLC6A2 P23975 6/20 0.31
▸ SLC6A4 P31645 6/20 0.31
▸ SLC6A3 Q01959 6/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PTGS1 P23219 5/20 0.31

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
SCHEMBL25145643 1.00 HCRTR2 (0.33) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL25290150 0.86 HCRTR2 (0.34) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL21607008 0.81 HRH1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL31307995 0.80 HCRTR2 (0.35) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL31239631 0.78 HCRTR1 (0.33) HCRTR2HCRTR1ALOX5APFEN1
SCHEMBL25145541 0.78 HCRTR1 (0.33) HCRTR2HCRTR1ALOX5APFEN1
SCHEMBL31532572 0.78 SLC6A4 (0.38) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL25253196 0.78 LOXL2 (0.38) HCRTR2HCRTR1
SCHEMBL25145627 0.74 MALT1 (0.44) ALOX5APFEN1
SCHEMBL25412091 0.74 SCN9A (0.33) —

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 5 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 disclosed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 HCRTR2 87/4885HCRTR1 41/4885SLC6A2 1028/4885

“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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