SCHEMBL24906506

SCHEMBL24906506

N#Cc1cc(NC(=O)c2c(C(F)(F)F)cnn2CC2CCCCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.45
GRM4 Q14833 1/20 0.42
PKM P14618 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
XDH P47989 1/20 0.40
PGR P06401 2/20 0.39
RORC P51449 1/20 0.38
MCHR1 Q99705 2/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL24758407 0.85 AKR1C3 (0.41) GRM4AKR1C3AKR1C2
SCHEMBL30141553 0.85 AKR1C3 (0.41) GRM4AKR1C3AKR1C2
SCHEMBL24757791 0.80 AKR1C3 (0.45) AKR1C3AKR1C2
SCHEMBL24758152 0.79 SCN10A (0.50) AKR1C3AKR1C2XDH
SCHEMBL27243230 0.78 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL24906379 0.77 AKR1C3 (0.47) AKR1C3AKR1C2
SCHEMBL27243001 0.77 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL24906371 0.77 AKR1C3 (0.47) AKR1C3AKR1C2
SCHEMBL24906272 0.77 MEN1 (0.52) AKR1C3AKR1C2
SCHEMBL24758199 0.76 AKR1C3 (0.47) 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 3 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
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 AR 3341/4885GRM4 614/4885PKM 1221/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A AR 3341/4885GRM4 614/4885PKM 1221/4885

“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.