SCHEMBL5653707

SCHEMBL5653707

CC(C)(C)OC(=O)NC(c1ccc(N)cc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.44
AAK1 Q2M2I8 4/20 0.40
SLC6A3 Q01959 2/20 0.39
AKT1 P31749 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL16394313 0.88 AAK1 (0.45) SMYD3AAK1NPC1ALDH1A1MAPT
SCHEMBL4116055 0.88 SMYD3 (0.53) SMYD3AKT1ALDH1A1MAPK1CDK2
SCHEMBL948775 0.86 PDE2A (0.47) SMYD3AAK1SLC6A2SLC6A4
SCHEMBL382374 0.84 HPGD (0.44) SMYD3SLC6A3SLC6A2SLC6A4
SCHEMBL5652485 0.84 SLC6A3 (0.43) SMYD3AAK1SLC6A3SLC6A2SLC6A4
SCHEMBL359262 0.82 AAK1 (0.42) SMYD3AAK1
SCHEMBL3199662 0.81 AAK1 (0.41) SMYD3AAK1
SCHEMBL4715530 0.81 SMYD3 (0.46) SMYD3SLC6A3AKT1SLC6A2SLC6A4
SCHEMBL4715527 0.81 SMYD3 (0.46) SMYD3SLC6A3AKT1SLC6A2SLC6A4
SCHEMBL15719386 0.79 SLC6A2 (0.45) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ SMYD3 3005/4885AAK1 141/4885SLC6A3 2673/4885

“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.