SCHEMBL31089761

SCHEMBL31089761

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Oc2ccc(C)c(OC)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.42
▸ RIOK2 Q9BVS4 2/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ KDR P35968 5/20 0.38
▸ BRAF P15056 2/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21581584 1.00 SCN9A (0.42) SCN9ARIOK2P2RX3KDRBRAF
SCHEMBL21611234 0.89 SCN9A (0.42) SCN9ACTSSCTSKADORA3AAK1
SCHEMBL21611225 0.88 RAF1 (0.42) SCN9AKDRBRAFAAK1
SCHEMBL21611230 0.86 AAK1 (0.39) SCN9AKDRCTSSCTSKAAK1
SCHEMBL31089887 0.84 SCN9A (0.47) SCN9ARIOK2P2RX3CTSSCTSK
SCHEMBL21581664 0.84 SCN9A (0.47) SCN9ARIOK2P2RX3CTSSCTSK
SCHEMBL31089812 0.84 SCN9A (0.48) SCN9ACTSSCTSKADORA3ABCB1
SCHEMBL31089865 0.83 HDAC4 (0.41) SCN9ACTSSCTSKAAK1MMP13
SCHEMBL21581662 0.83 HDAC4 (0.41) SCN9ACTSSCTSKAAK1MMP13
SCHEMBL9923870 0.82 HDAC4 (0.41) SCN9ACTSSCTSKHDAC8KDM4E

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-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 — — US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 — — EP 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-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A SCN9A 687/4885RIOK2 4412/4885P2RX3 811/4885

“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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