SCHEMBL4513472

SCHEMBL4513472

O=C(O)[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.38
SCN3A Q9NY46 7/20 0.36
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL20835370 0.81 KCNH2 (0.44) KCNH2SCN3ACYP2C19CYP1A2SCN1A
SCHEMBL2578479 0.78 ALDH1A1 (0.42) KCNH2SCN3ALMNATSHRRAB9A
SCHEMBL4328183 0.77 KCNH2 (0.40) KCNH2SCN3ACYP2C19CYP1A2SCN1A
SCHEMBL20835426 0.75 KCNH2 (0.40) KCNH2SCN3AS1PR4S1PR1S1PR3
SCHEMBL5886126 0.75 KCNH2 (0.62) KCNH2SCN3ACYP2C19CYP1A2SCN1A
SCHEMBL5886212 0.75 KCNH2 (0.62) KCNH2SCN3ACYP2C19CYP1A2SCN1A
SCHEMBL5886076 0.75 KCNH2 (0.62) KCNH2SCN3ACYP2C19CYP1A2SCN1A
SCHEMBL20565520 0.73 KCNH2 (0.53) KCNH2SCN3ACYP2C19
SCHEMBL20565506 0.73 KCNH2 (0.53) KCNH2SCN3ACYP2C19
SCHEMBL2040118 0.73 KCNH2 (0.53) KCNH2SCN3ACYP2C19

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 4 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-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 1511/4885CYP2C19 1655/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885CYP2C19 1655/4885

“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.