SCHEMBL4511389

SCHEMBL4511389

O=C1CCCC2CC(O)CC(c3ccccc3)N12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AR P10275 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
SCHEMBL4511390 1.00 HTT (0.46) HTTMEN1KMT2ALMNANPSR1
SCHEMBL4501000 0.86 TSHR (0.41) HTTMEN1KMT2ARIPK1ALDH1A1
SCHEMBL4500998 0.86 TSHR (0.41) HTTMEN1KMT2ARIPK1ALDH1A1
SCHEMBL4513488 0.79 P2RX7 (0.32) HTT
SCHEMBL3623238 0.79 P2RX7 (0.32) HTT
SCHEMBL3623239 0.79 P2RX7 (0.32) HTT
SCHEMBL4513860 0.79 P2RX7 (0.32) HTT
SCHEMBL4511398 0.78 HTT (0.44) HTTMEN1KMT2ALMNANPSR1
SCHEMBL2581124 0.77 MEN1 (0.37) MEN1KMT2ARIPK1ALDH1A1SLC18A3
SCHEMBL13040180 0.77 HTT (0.43) HTTMEN1KMT2ALMNANPSR1

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 HTT 544/4885MEN1 184/4885KMT2A 3271/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HTT 544/4885MEN1 184/4885KMT2A 3271/4885

“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.