SCHEMBL31383642

SCHEMBL31383642

CC(C)(C)OC(=O)N1CCC=C(c2nc(Br)ccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
ESR2 Q92731 1/20 0.37
GRM5 P41594 4/20 0.37
GRM1 Q13255 4/20 0.37
TRPV3 Q8NET8 3/20 0.37
RORC P51449 1/20 0.37
NR1H2 P55055 2/20 0.37
MAPK1 P28482 1/20 0.37
DGAT2 Q96PD7 1/20 0.36
WDR5 P61964 1/20 0.36
MKNK1 Q9BUB5 2/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL31383662 0.87 DGAT2 (0.41) ESR2RORCNR1H2MAPK1DGAT2
SCHEMBL31383588 0.83 GRM5 (0.40) USP30ESR2GRM5GRM1TRPV3
SCHEMBL25119907 0.82 GRM1 (0.54) GRM5GRM1
SCHEMBL31383654 0.80 MAPK1 (0.43) ESR2GRM5GRM1RORCNR1H2
SCHEMBL30919924 0.79 DGAT2 (0.39) ESR2GRM5GRM1RORCDGAT2
SCHEMBL31287970 0.78 MKNK1 (0.36) ESR2GRM5GRM1RORCNR1H2
SCHEMBL19458937 0.78 GPR119 (0.41) USP30ESR2NR1H2MAPK1DGAT2
SCHEMBL31383681 0.78 KCNH2 (0.39) USP30ESR2GRM5GRM1NR1H2
SCHEMBL31357911 0.78 MAPK1 (0.39) ESR2GRM5GRM1NR1H2MAPK1
SCHEMBL31287995 0.77 DGAT2 (0.36) ESR2GRM5GRM1RORCNR1H2

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-20250051363-A1 Substituted Pyrazolopyridines NEURO3 THERAPEUTICS INC (US) 2025-02-13 US disclosed
WO-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 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 (1 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-20250051363-A1 Substituted Pyrazolopyridines QDPR, DPYD, P2RX4 USP30 4060/4885ESR2 3321/4885GRM5 1690/4885

“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.