SCHEMBL4071582

SCHEMBL4071582

CC(C)CCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ POLB P06746 1/20 0.60
▸ CHRM1 P11229 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL3191393 0.85 POLB (0.74) ALDH1A1CYP2D6POLBSMN1; SMN2GAA
SCHEMBL4062604 0.84 ALDH1A1 (1.00) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL3199394 0.84 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBSMN1; SMN2GAA
SCHEMBL3182368 0.84 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL3196506 0.83 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBSMN1; SMN2GAA
SCHEMBL3203109 0.82 POLB (0.72) ALDH1A1CYP2D6POLBSMN1; SMN2MEN1
SCHEMBL4060347 0.81 ALDH1A1 (0.67) ALDH1A1CYP2D6POLBCHRM1SMN1; SMN2
SCHEMBL3205826 0.81 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBGAAKDM4E
SCHEMBL4129372 0.78 ALDH1A1 (0.70) ALDH1A1CYP2D6POLBSMN1; SMN2GAA
SCHEMBL4063776 0.77 POLB (0.74) ALDH1A1CYP2D6POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 — — EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 — — US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 — — EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 — — WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 — — EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 — — US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 — — EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 — — EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 — — US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 — — US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 — — EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 — — 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 ALDH1A1 275/4885CYP2D6 49/4885POLB 1474/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 ALDH1A1 228/4885CYP2D6 20/4885POLB 1833/4885

“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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