SCHEMBL2036845

SCHEMBL2036845

COC(=O)[C@@H]1CC[C@H](c2cccc(Cl)c2)N1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.51
KCNH2 Q12809 5/20 0.47
PDE5A O76074 2/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
SCN3A Q9NY46 3/20 0.39
SCN9A Q15858 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL2036846 1.00 SLC6A3 (0.51) SLC6A3KCNH2PDE5ATP53MDM2
SCHEMBL29788146 1.00 SLC6A3 (0.51) SLC6A3KCNH2PDE5ATP53MDM2
SCHEMBL21094085 0.86 KCNH2 (0.44) SLC6A3KCNH2TP53MDM2
SCHEMBL8695116 0.85 KCNH2 (0.48) SLC6A3KCNH2SCN3ASLC6A4
SCHEMBL8695113 0.85 KCNH2 (0.48) SLC6A3KCNH2SCN3ASLC6A4
SCHEMBL31479382 0.84 KCNH2 (0.52) KCNH2SCN3A
SCHEMBL5515868 0.84 KCNH2 (0.52) KCNH2SCN3A
SCHEMBL2043609 0.83 SLC6A3 (0.50) SLC6A3KCNH2SCN3ASLC6A4
SCHEMBL20835491 0.83 KCNH2 (0.51) SLC6A3KCNH2TP53MDM2SCN3A
SCHEMBL2041146 0.83 SLC6A3 (0.50) SLC6A3KCNH2SCN3ASLC6A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2019-10-03 US disclosed
EP-3074008-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATION EPICS THERAPEUTICS (BE) 2019-09-04 EP disclosed
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 US disclosed
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2017-10-05 US disclosed
EP-2513053-B1 Pyrrolidine carboxylic acid derivatives as agonists of G-protein coupled receptor 43 (GPR43), pharmaceutical composition and methods for use in treating metabolic disorders OGEDA SA (BE) 2017-10-04 EP disclosed
US-9770435-B2 Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases OGEDA SA (BE) 2017-09-26 US disclosed
US-9695120-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists OGEDA SA (BE) 2017-07-04 US disclosed
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2016-10-20 US disclosed
EP-3074008-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES Euroscreen S.A. (BE) 2016-10-05 EP disclosed
WO-2015078949-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN SA (BE) 2015-06-04 WO disclosed
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
EP-2513053-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) Euroscreen S.A. (BE) 2012-10-24 EP disclosed
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 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 (10 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 SLC6A3 1083/4885KCNH2 2405/4885PDE5A 363/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 SLC6A3 1083/4885KCNH2 2405/4885PDE5A 363/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 SLC6A3 1806/4885KCNH2 3613/4885PDE5A 757/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 SLC6A3 1271/4885KCNH2 1908/4885PDE5A 820/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 SLC6A3 1083/4885KCNH2 2405/4885PDE5A 363/4885
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 SLC6A3 1806/4885KCNH2 3613/4885PDE5A 757/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 SLC6A3 1221/4885KCNH2 2051/4885PDE5A 435/4885
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES PTGS1, PTGES, PTGER1 SLC6A3 4509/4885KCNH2 3364/4885PDE5A 640/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 SLC6A3 1211/4885KCNH2 2421/4885PDE5A 356/4885
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 SLC6A3 1083/4885KCNH2 2405/4885PDE5A 363/4885

“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.