SCHEMBL25259043

SCHEMBL25259043

O=C(O)N1CC(c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
BTK Q06187 1/20 0.38
HDAC4 P56524 3/20 0.38
PKM P14618 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HSD11B1 P28845 1/20 0.35
SLC6A7 Q99884 1/20 0.35
RAF1 P04049 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PROKR1 Q8TCW9 2/20 0.35
SCN9A Q15858 2/20 0.35
F2R P25116 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL25297852 0.86 RORC (0.40) ACACBBTK
SCHEMBL29497058 0.86 RORC (0.40) ACACBBTK
SCHEMBL31308048 0.83 ALOX5AP (0.37) ACACBBTKHDAC4ALOX5APFEN1
SCHEMBL25301470 0.81 PROKR1 (0.42) RAF1MAP2K1PROKR1SCN9A
SCHEMBL30700397 0.80 BTK (0.42) ACACBBTKALOX5APFEN1HSD11B1
SCHEMBL25252421 0.78 HTR2C (0.43) ACACBALOX5APFEN1SCN9A
SCHEMBL29497072 0.78 HTR2C (0.43) ACACBALOX5APFEN1SCN9A
SCHEMBL25249072 0.78 SCN9A (0.46) SCN9AHCRTR1
SCHEMBL25250298 0.77 RAF1 (0.32) ACACBBTKALOX5APFEN1HSD11B1
SCHEMBL30700101 0.77 BTK (0.40) ACACBBTKALOX5APFEN1HSD11B1

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
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

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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ACACB 785/4885BTK 488/4885HDAC4 2103/4885

“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.