SCHEMBL14176509

SCHEMBL14176509

CC(NC(C)(C)C)c1ccc(Oc2ccc(C(C)NC(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 14/20 0.42
▸ ACACA Q13085 13/20 0.42
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CACNA1F O60840 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL18611077 0.86 CA1 (0.51) ACACBCA1CA2ACHE
SCHEMBL10245220 0.86 CA1 (0.51) ACACBCA1CA2ACHE
SCHEMBL10087188 0.81 PDE2A (0.49) ACACBSLC6A3SLC6A4
SCHEMBL8254526 0.78 SMN1; SMN2 (0.39) ACHECACNA1FCHRM2CHRM1ADRA2B
SCHEMBL8259486 0.78 SMN1; SMN2 (0.39) ACHECACNA1FCHRM2CHRM1ADRA2B
SCHEMBL10315775 0.78 SMN1; SMN2 (0.39) ACHECACNA1FCHRM2CHRM1ADRA2B
SCHEMBL10058171 0.77 AKT1 (0.50) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL13036602 0.77 AKT1 (0.50) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL12201542 0.77 HTT (0.43) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL13900786 0.77 HTT (0.43) CACNA1FCHRM2CHRM1ADRA2BCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 — — US disclosed
US-7384946-B2 N-{4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexyl}-2-[2-({4-[2-([11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-ethyl]-cyclohexylcarbamoyl}}-methyl)-phenyl]]-acetamide; respiratory system disorders: COPD, bronchitis, asthma, pulmonary fibrosis, emphysema, rhinitis GLAXO GROUP LIMITED (GB) 2008-06-10 — — US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 — — US disclosed
US-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-06-28 — — 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 (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-20070149598-A1 M3 muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 ACACB 1309/4885ACACA 1179/4885CA1 795/4885

“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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