SCHEMBL3949153

SCHEMBL3949153

CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]nc(S(=O)(=O)c4ccccc4)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.48
▸ BACE1 P56817 2/20 0.45
▸ CKS1B P61024 2/20 0.42
▸ SKP1 P63208 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ GPR119 Q8TDV5 7/20 0.41
▸ KIT P10721 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ STS P08842 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL3947538 0.87 HTR6 (0.47) BACE1CKS1BSKP1SKP2ACHE
SCHEMBL4135821 0.82 HTR6 (0.51) CHRM2CHRM1
SCHEMBL3949857 0.81 PIK3CA (0.53) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL3948268 0.80 PARP1 (0.44) BACE1CKS1BSKP1SKP2ACHE
SCHEMBL8243476 0.79 ACHE (0.48) BACE1CKS1BSKP1SKP2ACHE
SCHEMBL3952445 0.79 HTR6 (0.56) —
SCHEMBL3831589 0.76 PIK3CA (0.51) PIK3CABACE1CKS1BSKP1SKP2
SCHEMBL5203019 0.74 HTR6 (0.46) PIK3CABACE1CKS1BSKP1SKP2
SCHEMBL3951206 0.74 BACE1 (0.47) BACE1CKS1BSKP1SKP2ACHE
SCHEMBL5202405 0.74 HTR6 (0.70) PIK3CABACE1CKS1BSKP1SKP2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 — — US disclosed
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 — — US disclosed
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 — — US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 — — US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 — — US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 — — US disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 — — US disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 — — US disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 — — US disclosed
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 — — US disclosed
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
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 (3 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-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR2C, HTR3B PIK3CA 4566/4885BACE1 2386/4885CKS1B 4358/4885
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR2C, HTR3B PIK3CA 4566/4885BACE1 2386/4885CKS1B 4358/4885
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C PIK3CA 4573/4885BACE1 2092/4885CKS1B 4208/4885

“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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