SCHEMBL4089338

SCHEMBL4089338

O=C(O)[C@H]1CCC[C@@H](c2ccc(F)cc2)N1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.52
SCN3A Q9NY46 8/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD11B1 P28845 3/20 0.41
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR3 Q99500 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL5886126 0.90 KCNH2 (0.62) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL5886076 0.90 KCNH2 (0.62) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL5886212 0.90 KCNH2 (0.62) KCNH2SCN3AKDM4EALDH1A1GAA
SCHEMBL31289649 0.85 DPP4 (0.47) KCNH2SCN3AGAA
SCHEMBL31289648 0.85 DPP4 (0.47) KCNH2SCN3AGAA
SCHEMBL8870852 0.85 DPP4 (0.47) KCNH2SCN3AGAA
SCHEMBL4333611 0.84 KCNH2 (0.40) KCNH2SCN3AGAAS1PR4S1PR1
SCHEMBL8442870 0.84 KCNH2 (0.41) KCNH2SCN3AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL8871065 0.83 DPP4 (0.46) KCNH2SCN3A
Hydrochloric Acid SCHEMBL31289646 0.83 DPP4 (0.46) KCNH2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 KCNH2 1249/4885SCN3A 890/4885KDM4E 3267/4885

“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.