SCHEMBL1109780

SCHEMBL1109780

CN(C)Cc1cnc([C@@](O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 13/20 0.40
CHRM1 P11229 13/20 0.40
CHRM4 P08173 12/20 0.40
CHRM5 P08912 10/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL1109790 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109782 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3225415 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL4739830 1.00 CHRM3 (0.41) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109822 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3218882 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL13329443 0.99 ALDH1A1 (0.40) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL3202857 0.96 ATM (0.39) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109856 0.88 POLB (0.44) CHRM3POLBCHRM2CHRM1CHRM4
SCHEMBL1109796 0.87 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101636390-B Napadisylate salt of a muscarinic M3 antagonist ARGENTA DISCOVERY LTD GB 2013-06-12 CN disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
CN-101678005-B Combination of a muscarinic receptor antagonist and a beta-2 adrenergic receptor agonist ARGENTA DISCOVERY LTD 2012-10-31 CN disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096143-A1 NAPADISYLATE SALT OF A MUSCARINIC M3 ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096128-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES 2 ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM3 1/4885POLB 4612/4885CHRM2 12/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A CHRM3 11/4885POLB 2442/4885CHRM2 8/4885

“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.