SCHEMBL8249542

SCHEMBL8249542

CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]nc(Cc4cccc5ccccc45)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.52
▸ BACE1 P56817 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ HTR6 P50406 2/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CXCR2 P25025 1/20 0.41
▸ PARP1 P09874 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GBA1 P04062 2/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TNKS O95271 1/20 0.39

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
SCHEMBL8243476 0.86 ACHE (0.48) ACHEBACE1CHRM2CHRM4CHRM1
SCHEMBL8243479 0.84 ACHE (0.53) ACHEBACE1CHRM2CHRM4CHRM1
SCHEMBL3951206 0.81 BACE1 (0.47) ACHEBACE1CHRM2CHRM4CHRM1
SCHEMBL3947538 0.80 HTR6 (0.47) ACHEBACE1CHRM2CHRM4CHRM1
SCHEMBL8243501 0.79 HTR6 (0.61) ACHEHTR6DRD2DRD4DRD3
SCHEMBL3948268 0.77 PARP1 (0.44) ACHEBACE1CHRM2CHRM4CHRM1
SCHEMBL23293544 0.77 ACHE (0.60) ACHECHRM2CHRM4CHRM1CHRM3
SCHEMBL16830462 0.77 ACHE (0.60) ACHECHRM2CHRM4CHRM1CHRM3
SCHEMBL30422174 0.77 ACHE (0.60) ACHECHRM2CHRM4CHRM1CHRM3
SCHEMBL4558301 0.76 BACE1 (0.59) ACHEBACE1CHRM2CHRM4CHRM1

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-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 — — US disclosed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 — — 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 (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-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C ACHE 886/4885BACE1 2092/4885CHRM2 415/4885

“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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