SCHEMBL5886126

SCHEMBL5886126

O=C(O)C1CCC(c2ccc(F)cc2)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.62
SCN3A Q9NY46 8/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
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 0.44
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 2/20 0.44
S1PR3 Q99500 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2B6 P20813 1/20 0.43

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
SCHEMBL5886212 1.00 KCNH2 (0.62) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL5886076 1.00 KCNH2 (0.62) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL4089338 0.90 KCNH2 (0.52) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL28308810 0.88 KCNH2 (0.64) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL197791 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL135105 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL8513273 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL197425 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL135106 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL1226045 0.84 KCNH2 (0.56) KCNH2SCN3ASCN1ASCN4ASCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023197984-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND 成都海博为药业有限公司 2023-10-19 WO disclosed
CN-116891488-A Condensed-cyclic compound, pharmaceutical composition containing condensed-cyclic compound and application of condensed-cyclic compound 成都海博为药业有限公司 2023-10-17 CN disclosed
US-6995182-B2 1-sulfonyl pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
EP-1299383-B1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2005-01-12 EP disclosed
US-20030212066-A1 1-Sulfonyl pyrrolidine derivatives MUTEL VINCENT (FR) 2003-11-13 US disclosed
US-6589978-B2 Therapy for nervous system disorders HOFFMAN-LA ROCHE INC. 2003-07-08 US disclosed
EP-1299383-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002002554-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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 (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-20030212066-A1 1-Sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 KCNH2 571/4885SCN3A 393/4885KDM4E 2664/4885
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 KCNH2 571/4885SCN3A 393/4885KDM4E 2664/4885

“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.