SCHEMBL2014133

SCHEMBL2014133

COC(=O)[C@](C)(c1ccccc1)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.61
CYP2B6 P20813 1/20 0.53
KCNN4 O15554 1/20 0.50

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
SCHEMBL2127682 1.00 CHRM3 (0.61) CHRM3CYP2B6KCNN4
SCHEMBL1682974 1.00 CHRM3 (0.61) CHRM3CYP2B6KCNN4
SCHEMBL2126929 1.00 CHRM3 (0.61) CHRM3CYP2B6KCNN4
SCHEMBL4736385 0.98 CHRM3 (0.63) CHRM3CYP2B6KCNN4
SCHEMBL3053742 0.93 CHRM3 (0.58) CHRM3CYP2B6KCNN4
SCHEMBL2128020 0.85 SMN1; SMN2 (0.52) CHRM3KCNN4
SCHEMBL2126812 0.85 CHRM3 (0.62) CHRM3KCNN4
SCHEMBL4738208 0.85 CHRM3 (0.62) CHRM3
SCHEMBL4736843 0.84 CHRM3 (0.66) CHRM3KCNN4
SCHEMBL3043721 0.83 CYP2B6 (0.59) CHRM3CYP2B6

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-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed
EP-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 EP disclosed
WO-2011073662-A1 COMBINATION OF A BENZOXAZINONE AND A FURTHER AGENT FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-06-23 WO disclosed
US-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2008075006-A1 PIPERLDINUM COMPOUNDS FOR TREATMENT OF OBSTRUCTIVE PULMONARY DISEASES ( COPD) ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 CHRM3 656/4885CYP2B6 2982/4885KCNN4 310/4885
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CYP2B6 401/4885KCNN4 1016/4885

“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.