SCHEMBL21581607

SCHEMBL21581607

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Oc2cc(OC)ccc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.50
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL31089812 0.93 SCN9A (0.48) SCN9AMAPTNPC1RAB9AADORA3
SCHEMBL31089836 0.88 SCN9A (0.49) SCN9AKDM4EALDH1A1HPGDLMNA
SCHEMBL21581600 0.88 SCN9A (0.55) SCN9ANPC1RAB9AADORA3ABCB1
SCHEMBL21581618 0.88 SCN9A (0.48) SCN9AMAPTNPC1RAB9AABCB1
SCHEMBL31089903 0.88 SCN9A (0.48) SCN9AMAPTNPC1RAB9AABCB1
SCHEMBL21581621 0.86 SCN9A (0.47) SCN9AMAPTKDM4EALDH1A1HPGD
SCHEMBL31089695 0.86 SCN9A (0.47) SCN9AMAPTCTSSCTSKSMN1; SMN2
SCHEMBL21581608 0.83 NPC1 (0.42) SCN9AMAPTNPC1RAB9AADORA3
SCHEMBL31089725 0.83 SCN9A (0.51) SCN9AKDM4EALDH1A1HPGDCTSS
SCHEMBL21611234 0.82 SCN9A (0.42) SCN9AMAPTADORA3ABCB1KDM4E

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-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
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 — — 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-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.

Send feedback