SCHEMBL4497524

SCHEMBL4497524

O=C(O)[C@H]1CCC[C@@H](c2ccc(F)c(F)c2)N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.41
SCN3A Q9NY46 7/20 0.41
GRIA4 P48058 1/20 0.39
KDM1A O60341 3/20 0.36
MAOB P27338 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL4500610 0.85 KCNH2 (0.38) KCNH2SCN3AMAOB
SCHEMBL2585801 0.83 SLC6A3 (0.41) KCNH2SCN3AGRIA4TAS1R3TAS1R1
SCHEMBL4089338 0.83 KCNH2 (0.52) KCNH2SCN3A
SCHEMBL8442870 0.80 KCNH2 (0.41) KCNH2SCN3AGRIA4
SCHEMBL4333611 0.80 KCNH2 (0.40) KCNH2SCN3A
SCHEMBL20835562 0.78 KCNH2 (0.42) KCNH2SCN3AMAOBTAS1R3TAS1R1
SCHEMBL31289648 0.78 DPP4 (0.47) KCNH2SCN3A
SCHEMBL8870852 0.78 DPP4 (0.47) KCNH2SCN3A
SCHEMBL31289649 0.78 DPP4 (0.47) KCNH2SCN3A
Hydrochloric Acid SCHEMBL31289646 0.76 DPP4 (0.46) KCNH2SCN3AMAOB

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885GRIA4 2251/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885GRIA4 2251/4885

“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.