SCHEMBL20533458

SCHEMBL20533458

COC(=O)[C@H]1CC[C@H](c2cc(F)cc(F)c2)N1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.44
SCN3A Q9NY46 7/20 0.41
SLC6A3 Q01959 1/20 0.39
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL2051542 1.00 KCNH2 (0.44) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL2051541 1.00 KCNH2 (0.44) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL31479382 0.86 KCNH2 (0.52) KCNH2SCN3A
SCHEMBL5515868 0.86 KCNH2 (0.52) KCNH2SCN3A
SCHEMBL2038333 0.85 KCNH2 (0.60) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL28789050 0.85 KCNH2 (0.60) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL2038331 0.85 KCNH2 (0.60) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL28908009 0.84 KCNH2 (0.41) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL28789031 0.81 KCNH2 (0.46) KCNH2SCN3ASLC6A3SCN1ASCN4A
SCHEMBL31047117 0.81 KCNH2 (0.46) KCNH2SCN3ASLC6A3SCN1ASCN4A

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 5 patents. 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-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 US disclosed
US-20180297944-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2018-10-18 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 (4 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-20180297944-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885SLC6A3 1083/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885SLC6A3 1083/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 KCNH2 1908/4885SCN3A 1888/4885SLC6A3 1271/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KCNH2 2405/4885SCN3A 1465/4885SLC6A3 1083/4885

“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.