SCHEMBL4500610

SCHEMBL4500610

O=C(O)[C@H]1CCC[C@@H](c2cc(F)c(F)c(F)c2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.38
SCN3A Q9NY46 9/20 0.38
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN7A Q01118 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CYP2C19 P33261 3/20 0.31
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
BLM P54132 2/20 0.31
CYP1A2 P05177 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4328183 0.90 KCNH2 (0.40) KCNH2SCN3ACES2CES1SCN1A
SCHEMBL8442870 0.86 KCNH2 (0.41) KCNH2SCN3ACYP2C19CYP2D6LMNA
SCHEMBL4497524 0.85 KCNH2 (0.41) KCNH2SCN3AMAOB
SCHEMBL2345543 0.82 SLC6A3 (0.38) KCNH2SCN3A
SCHEMBL4089338 0.79 KCNH2 (0.52) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL31289648 0.77 DPP4 (0.47) KCNH2SCN3ACYP2C19CYP2D6TSHR
SCHEMBL8870852 0.77 DPP4 (0.47) KCNH2SCN3ACYP2C19CYP2D6TSHR
SCHEMBL31289649 0.77 DPP4 (0.47) KCNH2SCN3ACYP2C19CYP2D6TSHR
Hydrochloric Acid SCHEMBL8871065 0.76 DPP4 (0.46) KCNH2SCN3ACYP2C19CYP2D6CYP1A2
SCHEMBL20835370 0.76 KCNH2 (0.44) 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 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 1511/4885CES2 381/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885CES2 381/4885

“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.