SCHEMBL1690392

SCHEMBL1690392

C=CC(c1ccccc1)C1CO1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL5364558 0.77 SLC6A2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL10372236 0.74 CYP19A1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL11610907 0.73 SLC6A3 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL461672 0.72 IDO1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30999488 0.72 EPHX1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30999484 0.72 EPHX1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4460887 0.72 IDO1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL244373 0.72 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL247653 0.72 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL245103 0.72 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790643-B1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE ZHAO SHUQIANG (CN) 2010-06-02 EP claimed
US-7521559-B2 Quinuclidine compounds having quaternary ammonium group, its preparation method and use as blocking agents of acetylcholine Zhao, Shuqiang (CN) 2009-04-21 US claimed
US-20080247963-A1 Quinuclidine Compounds Having Quaternary Ammonium Group, Its Preparation Method and Use as Blocking Agents of Acetylcholine Zhao, Shuqiang (CN) 2008-10-09 US claimed
EP-1790643-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE Zhao, Shuqiang (CN) 2007-05-30 EP claimed
US-8394824-B2 Quinuclidine compounds having quaternary ammonium group, its preparation method and use as blocking agents of acetylcholine SHUQIANG ZHAO (CN) 2013-03-12 US disclosed
US-8207192-B2 Quinuclidine compounds having quaternary ammonium group, its preparation method and use as blocking agents of acetylcholine Zhao, Shuquiang (CN) 2012-06-26 US disclosed
US-20120010236-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, ITS PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYLCHOLINE Zhao, Shuqiang (CN) 2012-01-12 US disclosed
EP-1790643-B1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE ZHAO SHUQIANG (CN) 2010-06-02 EP disclosed
US-20090163541-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, ITS PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYLCHOLINE Zhao, Shuqiang (CN) 2009-06-25 US disclosed
US-7521559-B2 Quinuclidine compounds having quaternary ammonium group, its preparation method and use as blocking agents of acetylcholine Zhao, Shuqiang (CN) 2009-04-21 US disclosed
US-20080247963-A1 Quinuclidine Compounds Having Quaternary Ammonium Group, Its Preparation Method and Use as Blocking Agents of Acetylcholine Zhao, Shuqiang (CN) 2008-10-09 US disclosed
EP-1790643-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, IT'S PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYCHOLINE Zhao, Shuqiang (CN) 2007-05-30 EP 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 (3 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-20080247963-A1 Quinuclidine Compounds Having Quaternary Ammonium Group, Its Preparation Method and Use as Blocking Agents of Acetylcholine CHRM1, CHRNA1, CHRM2 CHRM2 3/4885CHRM4 14/4885CHRM5 8/4885
US-20120010236-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, ITS PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYLCHOLINE CHRM1, CHRNA1, CHRM2 CHRM2 3/4885CHRM4 14/4885CHRM5 8/4885
US-20090163541-A1 QUINUCLIDINE COMPOUNDS HAVING QUATERNARY AMMONIUM GROUP, ITS PREPARATION METHOD AND USE AS BLOCKING AGENTS OF ACETYLCHOLINE CHRM1, CHRNA1, CHRNG CHRM2 5/4885CHRM4 17/4885CHRM5 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.