Sugi Predict

Sugi Predict / Compounds / SCHEMBL8513273

SCHEMBL8513273

SCHEMBL8513273

O=C(O)[C@H]1CC[C@H](c2ccccc2)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.56
▸ SCN3A Q9NY46 8/20 0.56
▸ DPP4 P27487 1/20 0.52
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN7A Q01118 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ S1PR4 O95977 2/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ S1PR5 Q9H228 2/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42

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
SCHEMBL135106 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
SCHEMBL5696388 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
SCHEMBL197791 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
SCHEMBL197425 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
SCHEMBL135105 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
SCHEMBL1226045 1.00 KCNH2 (0.56) KCNH2SCN3ADPP4SCN1ASCN4A
Hydrochloric Acid SCHEMBL5513962 0.98 KCNH2 (0.55) KCNH2SCN3ADPP4SCN1ASCN4A
Hydrochloric Acid SCHEMBL11235696 0.98 KCNH2 (0.55) KCNH2SCN3ADPP4SCN1ASCN4A
Hydrochloric Acid SCHEMBL8870650 0.98 KCNH2 (0.55) KCNH2SCN3ADPP4SCN1ASCN4A
Hydrochloric Acid SCHEMBL8870646 0.98 KCNH2 (0.55) KCNH2SCN3ADPP4SCN1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP 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-10017468-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists OGEDA SA (BE) 2018-07-10 — — US disclosed
US-9284352-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2016-03-15 — — US disclosed
US-8895499-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2014-11-25 — — US disclosed
CN-101848927-B Analgesic compounds Sao Paulo State Support Research Foundation (BR) 2014-10-22 — — CN disclosed
US-8865656-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-10-21 — — US disclosed
US-8716242-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2014-05-06 — — US disclosed
US-20130189363-A1 BETA-HAIRPIN PEPTIDOMIMETICS Universität Zürich (CH) 2013-07-25 — — US 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
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
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-11-08 — — US disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 — — US 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 (11 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 KCNH2 4735/4885SCN3A 2755/4885DPP4 685/4885
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885DPP4 898/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885DPP4 898/4885
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 KCNH2 3613/4885SCN3A 2658/4885DPP4 343/4885
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCL12, CXCR4, CXCR1 KCNH2 4739/4885SCN3A 3308/4885DPP4 768/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885DPP4 898/4885
US-20130189363-A1 BETA-HAIRPIN PEPTIDOMIMETICS CUTA, COL14A1, PEPD KCNH2 4384/4885SCN3A 1420/4885DPP4 376/4885
US-10017468-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, FFAR3 KCNH2 1991/4885SCN3A 1724/4885DPP4 492/4885
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 KCNH2 3613/4885SCN3A 2658/4885DPP4 343/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KCNH2 2051/4885SCN3A 1653/4885DPP4 1447/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KCNH2 2421/4885SCN3A 1512/4885DPP4 913/4885

“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.