SCHEMBL1690206

SCHEMBL1690206

c1ccc(C2(C3CCCC3)CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.55
CHRM4 P08173 9/20 0.55
CHRM5 P08912 9/20 0.55
CHRM1 P11229 9/20 0.55
CHRM3 P20309 9/20 0.55
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL19308438 1.00 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409353 0.98 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409291 0.96 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409282 0.91 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8040886 0.84 GRIN1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10875957 0.79 GRIN1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409436 0.78 SLC6A3 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16409437 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL121601 0.76 HSD11B1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7837194 0.75 CHRM2 (0.45) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466786-A Penehyclidine hydrochloride impurity and preparation method thereof 湖南一格制药有限公司 2024-01-30 CN claimed
CN-116903608-A Preparation method of penehyclidine 远大生命科学(武汉)有限公司 2023-10-20 CN claimed
CN-116514800-A Preparation method of penehyclidine hydrochloride 湖南一格制药有限公司 2023-08-01 CN claimed
CN-111925281-B Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2022-04-15 CN claimed
CN-109851615-B Process for purifying penehyclidine 上海旭东海普药业有限公司 2021-06-08 CN claimed
CN-111925281-A Preparation method of penehyclidine hydrochloride impurity 2-cyclopentyl-2-phenylacetaldehyde 江苏恩华药业股份有限公司 2020-11-13 CN claimed
CN-110343036-A A kind of preparation method of cyclopentyl phenyl acetaldehyde 武汉大安制药有限公司 2019-10-18 CN claimed
CN-109851615-A The method for purifying amyl ethyl quin ether 上海旭东海普药业有限公司 2019-06-07 CN claimed
CN-109824661-A The preparation method of impurity in a kind of amyl ethyl quin ether hydrochloride 山东博洛德生物科技有限公司 2019-05-31 CN claimed
CN-104072345-B A kind of method being applicable to prepare 1-cyclopentyl-2-methoxyl group-1-phenylethyl alcohol CHENGDU LIST PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2016-06-01 CN claimed
CN-118619939-A Synthesis method of penehyclidine hydrochloride 国药集团工业有限公司廊坊分公司 2024-09-10 CN disclosed
CN-118480037-A Preparation method of penehyclidine hydrochloride 重庆先洋医药科技有限公司 2024-08-13 CN disclosed
CN-117466786-A Penehyclidine hydrochloride impurity and preparation method thereof 湖南一格制药有限公司 2024-01-30 CN disclosed
CN-117466786-A Penehyclidine hydrochloride impurity and preparation method thereof 湖南一格制药有限公司 2024-01-30 CN disclosed
CN-116903608-A Preparation method of penehyclidine 远大生命科学(武汉)有限公司 2023-10-20 CN 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 (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-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-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.