SCHEMBL4485396

SCHEMBL4485396

Cc1ccccc1-c1ccc2c(NC(=O)C3CCC3)n[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.69
GSK3A P49840 8/20 0.69
AAK1 Q2M2I8 11/20 0.62
CDK2 P24941 5/20 0.62
PIK3CD O00329 1/20 0.62
PIM1 P11309 1/20 0.62

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
SCHEMBL4497986 0.98 GSK3B (0.69) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4491360 0.88 AAK1 (0.68) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4497932 0.88 HDAC6 (0.66) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4502945 0.87 GSK3B (0.72) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4483953 0.87 GSK3B (0.65) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4499817 0.87 GSK3A (0.91) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4487781 0.86 AAK1 (0.61) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4490775 0.86 AAK1 (0.68) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4485822 0.85 AAK1 (0.72) GSK3BGSK3AAAK1CDK2PIK3CD
SCHEMBL4492327 0.85 HDAC6 (0.66) GSK3BGSK3AAAK1CDK2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP claimed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US claimed
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US claimed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 GSK3B 2004/4885GSK3A 1996/4885AAK1 3371/4885

“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.