SCHEMBL2577909

SCHEMBL2577909

CCOC(=O)C1CN(C(=O)OC)CC(c2cc(F)c(F)c(F)c2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HTT P42858 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM1 P11229 1/20 0.34
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 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
SCHEMBL2586240 0.80 HDAC1 (0.36) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL2589964 0.79 CHRNB2 (0.35) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL2347960 0.78 KCNH2 (0.38) MAPTALDH1A1KDM4ETDP1CYP1A2
SCHEMBL7849490 0.72 ALDH1A1 (0.37) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL2345543 0.67 SLC6A3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28908009 0.67 KCNH2 (0.41) MAPTALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL2348802 0.67 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRRECQLTDP1
SCHEMBL8258775 0.65 KCNH2 (0.41) MAPTALDH1A1TSHRCHRM1RECQL
SCHEMBL2578479 0.64 ALDH1A1 (0.42) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL28519301 0.63 KCNH2 (0.38) MAPTALDH1A1TSHRRECQLL3MBTL1

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-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US 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 PDE4A 1305/4885PDE4B 2024/4885PDE4C 1738/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 PDE4A 1305/4885PDE4B 2024/4885PDE4C 1738/4885

“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.