SCHEMBL31089812

SCHEMBL31089812

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2ccc(C)c(OC)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.48
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ABCB1 P08183 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL21581607 0.93 SCN9A (0.50) SCN9AMAPTNPC1RAB9ACTSS
SCHEMBL31089903 0.93 SCN9A (0.48) SCN9AMAPTNPC1RAB9ACTSS
SCHEMBL21581618 0.93 SCN9A (0.48) SCN9AMAPTNPC1RAB9ACTSS
SCHEMBL31089836 0.88 SCN9A (0.49) SCN9ACTSSCTSKGRM5HDAC4
SCHEMBL21581600 0.88 SCN9A (0.55) SCN9ANPC1RAB9ACTSSCTSK
SCHEMBL21611225 0.88 RAF1 (0.42) SCN9A
SCHEMBL31089725 0.86 SCN9A (0.51) SCN9ACTSSCTSKHDAC4HDAC1
SCHEMBL21611230 0.86 AAK1 (0.39) SCN9AMAPTCTSSCTSKABCB1
SCHEMBL21581621 0.86 SCN9A (0.47) SCN9AMAPTCTSSCTSKSMN1; SMN2
SCHEMBL21611234 0.85 SCN9A (0.42) SCN9AMAPTCTSSCTSKADORA3

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 687/4885MAPT 379/4885NPC1 4607/4885

“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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