SCHEMBL342295

SCHEMBL342295

NC1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
CHRM3 P20309 1/20 0.62
OPRM1 P35372 7/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 2/20 0.59
SLC18A3 Q16572 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD2 P14416 1/20 0.56
KCNH2 Q12809 1/20 0.56
PLD1 Q13393 1/20 0.54

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
SCHEMBL22605478 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2604450 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2604448 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL15273446 0.98 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL16444395 0.98 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL319049 0.92 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863517 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863418 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863420 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL22605488 0.86 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3OPRM1

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 15 patents. 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
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
US-8883214-B2 Implantable delivery vehicle for ocular delivery of muscarinic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-11 US disclosed
US-20120015035-A1 Implantable Delivery Vehicle for Ocular Delivery of Muscarinic Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 US disclosed
WO-2010083129-A2 IMPLANTABLE DELIVERY VEHICLE FOR OCULAR DELIVERY OF MUSCARINIC ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 WO disclosed
EP-1598339-B1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-06-24 EP disclosed
EP-1598339-A1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 EP 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
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-5691323-A BENZIMIDAZOL-2-ONES MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5691323-A BENZIMIDAZOL-2-ONES MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5574044-A BENZIMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF MYOPIA MERCK & CO., INC. (US) 1996-11-12 US disclosed
US-5574044-A BENZIMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF MYOPIA MERCK & CO., INC. (US) 1996-11-12 US disclosed
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 WO disclosed
WO-1996013262-A1 MUSCARINE ANTAGONISTS MERCK & CO., INC. (US) 1996-05-09 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 (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-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 CHRM1 18/4885CHRM2 3/4885CHRM4 23/4885

“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.