SCHEMBL30106989

SCHEMBL30106989

Cc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BACE1 P56817 2/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
CRHR1 P34998 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM1A O60341 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CRACR2A Q9BSW2 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
SCHEMBL24757816 1.00 NR3C1 (0.40) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL24758290 0.95 NR3C1 (0.38) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL30107028 0.95 NR3C1 (0.38) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL30107007 0.90 AKR1C3 (0.39) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL24758208 0.90 AKR1C3 (0.39) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL24759014 0.90 NR3C1 (0.40) NR3C1AKR1C3AKR1C2BACE1CRHR1
SCHEMBL30107047 0.90 NR3C1 (0.40) NR3C1AKR1C3AKR1C2BACE1CRHR1
SCHEMBL24906485 0.89 AKR1C3 (0.38) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL30107035 0.89 AKR1C3 (0.38) NR3C1AKR1C3AKR1C2BACE1BACE2
SCHEMBL24758209 0.88 BACE1 (0.39) NR3C1AKR1C3AKR1C2BACE1BACE2

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
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP claimed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO claimed
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 US disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 WO 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 NR3C1 2106/4885AKR1C3 1950/4885AKR1C2 1995/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A NR3C1 2106/4885AKR1C3 1950/4885AKR1C2 1995/4885

“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.