SCHEMBL2579882

SCHEMBL2579882

O=C1CCC[C@H]2CC[C@@H](c3ccc(Cl)cc3)N12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.45
P2RX7 Q99572 3/20 0.43
ALDH1A1 P00352 2/20 0.41
SRD5A1 P18405 1/20 0.41
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MDM2 Q00987 3/20 0.37
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
APEX1 P27695 1/20 0.36
PMP22 Q01453 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MDM4 O15151 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
SCHEMBL4499380 0.94 MEN1 (0.50) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL4499379 0.94 MEN1 (0.50) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL2583986 0.94 MEN1 (0.50) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL21008967 0.84 MDM2 (0.40) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL4510617 0.84 MEN1 (0.44) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL2587857 0.82 MEN1 (0.43) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL2587441 0.82 MDM2 (0.44) MEN1KMT2AP2RX7ALDH1A1MDM2
SCHEMBL28992315 0.82 MDM2 (0.44) MEN1KMT2AP2RX7ALDH1A1MDM2
SCHEMBL21009186 0.82 MDM2 (0.41) MEN1KMT2ANPSR1LMNAP2RX7
SCHEMBL4088718 0.81 P2RX7 (0.38) MEN1KMT2ANPSR1P2RX7ALDH1A1

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 8 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-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 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 (3 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 MEN1 184/4885KMT2A 3271/4885NPSR1 594/4885
US-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 MEN1 597/4885KMT2A 2484/4885NPSR1 1685/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885NPSR1 594/4885

“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.