SCHEMBL23216064

SCHEMBL23216064

O=C(COC1COC1)N1CCC(C(NC(=O)C(F)(F)F)c2cc(Cl)c(Cl)cc2O)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 1/20 0.30
EPHX2 P34913 1/20 0.30
NPC1 O15118 1/20 0.30
ALOX12 P18054 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL23216063 1.00 FKBP1A (0.32) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL23216357 0.85 FKBP1A (0.34) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL23216356 0.85 FKBP1A (0.34) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL29745658 0.82 FKBP1A (0.37) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL23215659 0.82 FKBP1A (0.37) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL23215654 0.82 FKBP1A (0.37) FKBP1AGAATSHRMAPK1SMN1; SMN2
SCHEMBL23216831 0.78 NPC1 (0.39) NPC1ALOX12RAB9A
SCHEMBL29745153 0.78 NPC1 (0.39) NPC1ALOX12RAB9A
SCHEMBL23215391 0.73 AKT1 (0.39) NPC1ALOX12RAB9A
SCHEMBL29745487 0.73 AKT1 (0.39) NPC1ALOX12RAB9A

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 FKBP1A 2808/4885GAA 2669/4885TSHR 1969/4885

“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.