SCHEMBL30107043

SCHEMBL30107043

Cc1c(C(F)F)nn(CC2CCC(F)(F)CC2)c1C(=O)Nc1ccnc(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.44
SCN10A Q9Y5Y9 16/20 0.40
OPRM1 P35372 2/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 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
SCHEMBL24757277 1.00 ANO1 (0.44) ANO1SCN10AOPRM1AKR1C3AKR1C2
SCHEMBL24758203 0.90 ANO1 (0.46) ANO1SCN10AOPRM1
SCHEMBL24906535 0.89 ANO1 (0.40) ANO1SCN10AOPRM1
SCHEMBL24906423 0.88 SCN10A (0.44) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24906521 0.88 ANO1 (0.44) ANO1SCN10AOPRM1
SCHEMBL24757319 0.88 ANO1 (0.45) ANO1SCN10AOPRM1
SCHEMBL24906494 0.87 ANO1 (0.46) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24906531 0.87 SCN10A (0.43) SCN10A
SCHEMBL24757634 0.86 SCN10A (0.41) ANO1SCN10AAKR1C3AKR1C2
SCHEMBL24906534 0.86 HTR2A (0.35) AKR1C3AKR1C2

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 ANO1 209/4885SCN10A 8/4885OPRM1 230/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A ANO1 209/4885SCN10A 8/4885OPRM1 230/4885

“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.