SCHEMBL3710702

SCHEMBL3710702

O=c1[nH]c2ccccc2n1C1CCN(C2CCNCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.78
CHRM2 P08172 5/20 0.78
CHRM4 P08173 5/20 0.78
CHRM3 P20309 4/20 0.78
SLC18A3 Q16572 1/20 0.64
CHRM5 P08912 3/20 0.63
DRD2 P14416 3/20 0.63
ADRA1D P25100 1/20 0.63
HTR2C P28335 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
OPRM1 P35372 3/20 0.61
OPRK1 P41145 2/20 0.61
OPRL1 P41146 2/20 0.61
OPRD1 P41143 1/20 0.61

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
Hydrochloric Acid SCHEMBL5482985 0.99 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL4403937 0.92 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL44492 0.92 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL29467164 0.92 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL5386489 0.91 CHRM1 (0.69) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL8863390 0.90 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3SLC18A3
SCHEMBL8863384 0.90 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3SLC18A3
Hydrochloric Acid SCHEMBL7295362 0.90 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3SLC18A3
Hydrochloric Acid SCHEMBL31285831 0.90 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3SLC18A3
Ammonia Solution, Strong SCHEMBL1763968 0.90 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3SLC18A3

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 24 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-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
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
EP-1515722-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 US 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-1515722-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-1999032443-A1 MUSCARINIC AGENTS AND USE THEREOF TO TREAT GLAUCOMA, MYOPIA, AND VARIOUS OTHER CONDITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed
WO-1999032479-A1 PHTHALIMIDE-PIPERIDINE, -PYRROLIDINE AND -AZEPINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MUSCARINIC RECEPTOR (ANT-)AGONISTS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed
WO-1999032486-A1 MUSCARINIC AGENTS AND USE THEREOF TO TREAT GLAUCOMA, MYOPIA AND VARIOUS OTHER CONDITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed
WO-1999032489-A1 MUSCARINIC AGENTS AND USE THEREOF TO TREAT GLAUCOMA, MYOPIA AND VARIOUS OTHER CONDITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 WO 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 (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-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
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 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.