SCHEMBL2796932

SCHEMBL2796932

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.40
CCR1 P32246 1/20 0.40
CHRM2 P08172 8/20 0.39
CHRM1 P11229 8/20 0.39
CYP2D6 P10635 3/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
HRH1 P35367 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2763733 0.80 CHRM3 (0.41) CHRM3CCR1CHRM2CHRM1CYP2D6
SCHEMBL5240243 0.69 CCR1 (0.45) CHRM3CCR1CHRM2CHRM1CYP2D6
SCHEMBL13116345 0.68 KEAP1 (0.53) CHRM3CCR1CHRM2CHRM1KCNH2
SCHEMBL4618235 0.68 KEAP1 (0.53) CHRM3CCR1CHRM2CHRM1KCNH2
SCHEMBL4525774 0.67 CYP2B6 (0.47) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL5240516 0.67 CCR1 (0.43) CHRM3CCR1CHRM2CHRM1CYP2D6
SCHEMBL4901870 0.67 CYP2B6 (0.45) CHRM3CHRM2CHRM1CYP2D6KCNH2
SCHEMBL6266546 0.66 CYP2B6 (0.56) CHRM3CYP2B6MAPT
SCHEMBL4006317 0.65 KEAP1 (0.46) CHRM3CCR1CHRM2CHRM1CHRM4
SCHEMBL27730036 0.65 CCR1 (0.50) CHRM3CCR1CHRM2CHRM1TSHR

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 47 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
WO-2023141721-A1 ANTICHOLINERGIC COMPOUNDS FOR USE IN TREATING NEUROMUSCULAR DISORDERS UNIVERSITY OF MONTRÉAL (CA) 2023-08-03 WO 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
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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
EP-2076261-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2009-07-08 EP disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 WO disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
WO-2006035280-A1 3,4-DIHYDROISOQUINOLINE COMPOUNDS AS MUSCRINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY, URINARY AND GASTROINTESTINAL DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 WO disclosed
WO-2006016245-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed
WO-2006005980-A1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-01-19 WO disclosed
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 disclosed
WO-2005009340-A2 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) 2005-02-03 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 1/4885CCR1 574/4885CHRM2 2/4885
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885CCR1 778/4885CHRM2 2/4885
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 1/4885CCR1 993/4885CHRM2 3/4885
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CCR1 488/4885CHRM2 3/4885
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CCR1 488/4885CHRM2 3/4885
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CCR1 423/4885CHRM2 3/4885
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885CCR1 444/4885CHRM2 3/4885

“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.