SCHEMBL25290150

SCHEMBL25290150

FC(F)(F)c1ccc(OC2CC3(CNC3)C2)nn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ SLC6A2 P23975 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL30396039 0.86 HCRTR2 (0.33) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL25145643 0.86 HCRTR2 (0.33) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL31532572 0.80 SLC6A4 (0.38) HCRTR2HCRTR1SLC6A2SLC6A4SLC6A3
SCHEMBL21607008 0.78 HRH1 (0.41) KCNH2SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL31239665 0.77 HCRTR1 (0.34) HCRTR2HCRTR1LOXL2KCNH2
SCHEMBL25936181 0.77 HCRTR1 (0.34) HCRTR2HCRTR1LOXL2KCNH2
SCHEMBL25252074 0.77 LOXL2 (0.43) HCRTR2HCRTR1LOXL2
SCHEMBL25326413 0.76 CHRNB2 (0.41) —
SCHEMBL25301249 0.76 LOXL2 (0.35) LOXL2
SCHEMBL30775929 0.76 LCAT (0.31) —

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 disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US 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
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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 (4 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY HCRTR2 867/4885HCRTR1 358/4885LOXL2 232/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 HCRTR2 3019/4885HCRTR1 2560/4885LOXL2 396/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY HCRTR2 867/4885HCRTR1 358/4885LOXL2 232/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 HCRTR2 87/4885HCRTR1 41/4885LOXL2 3765/4885

“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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