SCHEMBL5653544

SCHEMBL5653544

CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
TSHR P16473 1/20 0.41
NR1D1 P20393 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CDC25C P30307 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
EPHX1 P07099 1/20 0.39
CCR5 P51681 1/20 0.39
KCNJ1 P48048 2/20 0.38

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
SCHEMBL4511972 0.86 SIGMAR1 (0.45) TSHRSIGMAR1ALDH1A1LMNAMAPT
SCHEMBL5654759 0.83 DRD2 (0.38) SIGMAR1
SCHEMBL3161090 0.82 MEN1 (0.46) NR1D1SIGMAR1ALDH1A1LMNAMAPT
SCHEMBL992030 0.81 KCNH2 (0.50) KCNH2TSHRNR1D1SIGMAR1ALDH1A1
SCHEMBL16682344 0.79 KCNH2 (0.53) KCNH2TSHRNR1D1ALDH1A1LMNA
SCHEMBL16107590 0.79 KCNH2 (0.50) KCNH2TSHRNR1D1SIGMAR1ALDH1A1
SCHEMBL1769431 0.78 ALDH1A1 (0.39) TSHRNR1D1ALDH1A1LMNAMAPT
SCHEMBL1287149 0.78 KCNH2 (0.46) KCNH2TSHRNR1D1SIGMAR1ALDH1A1
SCHEMBL19491362 0.78 KCNH2 (0.52) KCNH2TSHRNR1D1SIGMAR1ALDH1A1
SCHEMBL15244306 0.78 MAPT (0.55) ALDH1A1LMNAMAPT

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 KCNH2 620/4885TSHR 3140/4885NR1D1 2322/4885

“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.