SCHEMBL25254795

SCHEMBL25254795

FC(F)(F)C12CC(c3nc(C4CN(C(c5ccccc5)c5ccccc5)C4)no3)(C1)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 3/20 0.31
LMNA P02545 1/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL25263865 0.72
SCHEMBL25290141 0.69 CPT2 (0.48) MEN1KMT2AHTTLMNACPT1A
SCHEMBL30488782 0.69 CPT2 (0.48) MEN1KMT2AHTTLMNACPT1A
SCHEMBL23149068 0.64 GRM5 (0.45) NPSR1TP53SMN1; SMN2LMNAALDH1A1
SCHEMBL6980247 0.64 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL1740290 0.61 OPRM1 (0.47) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL6774667 0.61 OPRM1 (0.50) ACHEALDH1A1OPRM1OPRD1OPRK1
SCHEMBL1603117 0.60 OPRD1 (0.48) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL4956140 0.60 ALDH1A1 (0.38) NPSR1MEN1KMT2AHTTACHE
SCHEMBL48800 0.59 OPRM1 (0.48) MEN1KMT2AALDH1A1OPRM1OPRD1

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 3 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
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 NPSR1 2057/4885MEN1 1044/4885TP53 2285/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY NPSR1 2057/4885MEN1 1044/4885TP53 2285/4885

“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.