SCHEMBL2763733

SCHEMBL2763733

NC(=O)C(CC1CCCCC1)(N1CCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.41
CHRM2 P08172 8/20 0.41
CHRM1 P11229 8/20 0.41
CYP2D6 P10635 3/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
HRH1 P35367 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL2796932 0.80 CHRM3 (0.40) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL5240243 0.73 CCR1 (0.45) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL5240516 0.71 CCR1 (0.43) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL13116345 0.69 KEAP1 (0.53) CHRM3CHRM2CHRM1KCNH2TDP1
SCHEMBL4618235 0.69 KEAP1 (0.53) CHRM3CHRM2CHRM1KCNH2TDP1
SCHEMBL4525774 0.69 CYP2B6 (0.47) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL6266546 0.68 CYP2B6 (0.56) CHRM3MAPTKMT2ACYP2B6
SCHEMBL4006317 0.67 KEAP1 (0.46) CHRM3CHRM2CHRM1CHRM4CCR1
SCHEMBL7569557 0.66 KEAP1 (0.53) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL4901870 0.66 CYP2B6 (0.45) CHRM3CHRM2CHRM1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US claimed
US-20240374563-A1 ANTICHOLINERGIC COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS UNIVERSITY OF MONTRÉAL (CA) 2024-11-14 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 US disclosed
US-20100144801-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-06-10 US disclosed
EP-2177511-A2 Process for preparing 3,6-disubstituted azabicyclo derivatives Ranbaxy Laboratories Limited (IN) 2010-04-21 EP disclosed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 EP disclosed
US-7592359-B2 Substituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-09-22 US disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
WO-2004056810-A1 XANTHINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed
WO-2004056811-A1 FLAVAXATE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed
WO-2004056767-A1 1-SUBSTITUTED-3-PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-07-08 WO disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 WO disclosed
WO-2004018422-A1 FLUORO AND SULPHONYLAMINO CONTAINING 3,6-DISUBSTITUTED AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-03-04 WO disclosed
WO-2004014363-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONIST RANBAXY LABORATORIES LIMITED (IN) 2004-02-19 WO disclosed
WO-2004014853-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-02-19 WO disclosed
WO-2004004629-A2 3,6-DISUBSTITUTED AZABICYCLO [3.1.0]HEXANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-01-15 WO disclosed
WO-2004005252-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (US) 2004-01-15 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 (7 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-20100144801-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CHRM3 1/4885CHRM2 2/4885CHRM1 4/4885
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20050107349-A1 Method for the treatment or prevention of respiratory disorders with a cyclooxygenase-2 inhibitor in combination with a muscarinic receptor antagonist and compositions therewith CHRM3, CYSLTR2, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 18/4885
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 5/4885
US-20240374563-A1 ANTICHOLINERGIC COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS CHRNA6, CHRNA5, CHRNA10 CHRM3 16/4885CHRM2 18/4885CHRM1 22/4885
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 4/4885
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CHRM2 3/4885CHRM1 4/4885

“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.