SCHEMBL25253230

SCHEMBL25253230

FC(F)(F)C1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
PDE10A Q9Y233 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TRPV3 Q8NET8 3/20 0.43
LCAT P04180 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
AKR1C3 P42330 1/20 0.40
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL30395333 1.00 MAP4K4 (0.50) MAP4K4KDM4EMAPTPDE10AGRIN2D
SCHEMBL31541404 0.88 GRIN2D (0.44) MAP4K4KDM4EMAPTPDE10AGRIN2D
SCHEMBL17316304 0.84 GRIN2D (0.48) KDM4EMAPTPDE10AGRIN2DGRIN3B
SCHEMBL15205475 0.84 GRIN2D (0.48) KDM4EMAPTPDE10AGRIN2DGRIN3B
SCHEMBL17316509 0.84 GRIN2D (0.48) KDM4EMAPTPDE10AGRIN2DGRIN3B
SCHEMBL17696406 0.82 MAP4K4 (0.50) MAP4K4KDM4EMAPTPDE10AGRIN2D
SCHEMBL15206004 0.81 AKR1C3 (0.52) KDM4EMAPTPDE10AGRIN2DGRIN3B
SCHEMBL17210352 0.80 MAP4K4 (0.41) MAP4K4KDM4EMAPTTRPV3CYP3A4
SCHEMBL390612 0.77 GRIN2D (0.47) MAP4K4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL21861463 0.77 MAPT (0.48) MAP4K4KDM4EMAPTPDE10AGRIN2D

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
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 (2 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 MAP4K4 3829/4885KDM4E 1570/4885MAPT 4401/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MAP4K4 3829/4885KDM4E 1570/4885MAPT 4401/4885

“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.