SCHEMBL31595022

SCHEMBL31595022

C[C@H](NC(=O)Nc1c(C2CCC2)c(C2CC(F)(F)C2)nn1C)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ MAPK1 P28482 8/20 0.33
▸ IDO1 P14902 1/20 0.31
▸ NTRK1 P04629 1/20 0.31

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
SCHEMBL26055355 1.00 EPHX2 (0.38) EPHX2TAS1R3TAS1R1MAPK1IDO1
SCHEMBL31594881 0.91 FASN (0.33) —
SCHEMBL31594860 0.86 — —
SCHEMBL26055353 0.86 — —
SCHEMBL26055354 0.86 — —
SCHEMBL31594927 0.84 GRM4 (0.32) NTRK1
SCHEMBL26052689 0.84 — —
SCHEMBL25431739 0.83 TRPV4 (0.31) —
SCHEMBL31594978 0.83 FASN (0.35) —
SCHEMBL26054301 0.83 LPAR1 (0.35) —

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-20250230152-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD (US) 2025-07-17 — — US claimed
US-20250230152-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD (US) 2025-07-17 — — US disclosed
US-20250171429-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD (US) 2025-05-29 — — 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-20250230152-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS KCNA7, KCNK17, KCNT1 EPHX2 4713/4885TAS1R3 1752/4885TAS1R1 2037/4885
US-20250171429-A1 PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS KCNA7, KCNK17, KCNT1 EPHX2 4713/4885TAS1R3 1752/4885TAS1R1 2037/4885

“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.

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