SCHEMBL30107029

SCHEMBL30107029

Cc1c(C(F)(F)F)nn(CC2CCC(F)(F)C2)c1C(=O)Nc1ccc(F)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
BACE2 Q9Y5Z0 3/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
NR3C1 P04150 1/20 0.34
MAPT P10636 3/20 0.33
CRACR2A Q9BSW2 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
IRAK4 Q9NWZ3 7/20 0.33
SLC10A1 Q14973 3/20 0.33

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
SCHEMBL24757308 1.00 BACE1 (0.38) BACE1BACE2AKR1C3AKR1C2LMNA
SCHEMBL24758209 0.95 BACE1 (0.39) BACE1BACE2AKR1C3AKR1C2LMNA
SCHEMBL30107009 0.95 BACE1 (0.39) BACE1BACE2AKR1C3AKR1C2LMNA
SCHEMBL30107028 0.89 NR3C1 (0.38) BACE1BACE2AKR1C3AKR1C2NR3C1
SCHEMBL24758290 0.89 NR3C1 (0.38) BACE1BACE2AKR1C3AKR1C2NR3C1
SCHEMBL24759005 0.87 SCN10A (0.43) AKR1C3AKR1C2
SCHEMBL24906467 0.87 SCN10A (0.43) AKR1C3AKR1C2
SCHEMBL30107019 0.85 NR3C1 (0.39) BACE1BACE2AKR1C3AKR1C2LMNA
SCHEMBL24758387 0.85 NR3C1 (0.39) BACE1BACE2AKR1C3AKR1C2LMNA
SCHEMBL24759014 0.85 NR3C1 (0.40) BACE1AKR1C3AKR1C2NR3C1SLC10A1

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-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A BACE1 2182/4885BACE2 2797/4885AKR1C3 1950/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A BACE1 2182/4885BACE2 2797/4885AKR1C3 1950/4885

“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.