SCHEMBL18229103

SCHEMBL18229103

O=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.53
CHRM2 P08172 14/20 0.53
CHRM1 P11229 12/20 0.51
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
ADRA1A P35348 2/20 0.51
HRH1 P35367 2/20 0.51
OPRK1 P41145 2/20 0.51
KCNH2 Q12809 2/20 0.51
TSPO P30536 1/20 0.51
PDE3A Q14432 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL28475540 0.95 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL22766776 0.93 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28465528 0.89 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26529229 0.88 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28471531 0.88 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18238558 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18229046 0.84 CHRM3 (0.53) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL20476343 0.83 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908629 0.83 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908598 0.83 CHRM3 (0.48) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074833-B Having beta2Benzo ring derivatives with receptor agonistic and M3 receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2021-05-25 CN disclosed
CN-107108562-B With β2ReceptorsNitrogen-containing heterocyclic ring derivative with agonistic and M receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2020-07-10 CN disclosed
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 US disclosed
US-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-06-20 US disclosed
EP-3375781-A1 BENZO RING DERIVATIVE WITH B2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2018-09-19 EP disclosed
CN-107108562-A With β2Nitrogen-containing heterocyclic ring derivative with receptor agonistic and M receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2017-08-29 CN disclosed
CN-107074833-A With β2The Benzocyclodirivative of receptor agonism and M3 receptor antagonist activities and its in purposes pharmaceutically 四川海思科制药有限公司 2017-08-18 CN disclosed
WO-2017012489-A1 BENZO RING DERIVATIVE WITH Β2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2017-01-26 WO disclosed
WO-2017012489-A1 BENZO RING DERIVATIVE WITH Β2 RECEPTOR AGONIST AND M3 RECEPTOR ANTAGONIST ACTIVITIES AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2017-01-26 WO disclosed
WO-2016180348-A1 NITROGEN-CONTAINING SPIRO-HETEROCYCLIC DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 WO disclosed
WO-2016180348-A1 NITROGEN-CONTAINING SPIRO-HETEROCYCLIC DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 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-20190185461-A1 BENZOCYCLIC DERIVATIVE HAVING B2-RECEPTOR AGONIST ACTIVITY AND M3-RECEPTOR ANTAGONIST ACTIVITY AND MEDICAL USE THEREOF HCAR2, CHRM3, BDKRB2 CHRM3 2/4885CHRM2 4/4885CHRM1 15/4885

“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.