SCHEMBL3095676

SCHEMBL3095676

O=C(CBr)c1ccc(N2CCC(OCC3CCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
HRH3 Q9Y5N1 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
USP2 O75604 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
TP53BP1 Q12888 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38
HCRTR2 O43614 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL3110822 0.85 KMT2A (0.53) HRH3HDAC3HDAC8USP2ACACB
SCHEMBL6135038 0.79 HDAC3 (0.47) HRH3HDAC3HDAC8L3MBTL1HCRTR2
SCHEMBL6134107 0.77 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2A
SCHEMBL627822 0.76 GSK3B (0.75) GSK3BHDAC8USP2L3MBTL1ALDH1A1
SCHEMBL2970722 0.75 GSK3B (0.73) GSK3BHDAC8USP2L3MBTL1ALDH1A1
SCHEMBL6134644 0.75 HDAC3 (0.51) HDAC3HDAC8ALDH1A1MAPTMEN1
SCHEMBL12302124 0.74 GSK3B (0.63) GSK3BUSP2MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL31753651 0.73 HRH3 (0.47) HRH3USP2PARP15PARP10PARP2
SCHEMBL541208 0.70 GSK3B (1.00) GSK3BHDAC8L3MBTL1ALDH1A1MAPT
SCHEMBL14308967 0.70 HDAC3 (0.39) HRH3HDAC3HDAC8ALDH1A1MEN1

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
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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 (1 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS GSK3B 4693/4885HRH3 2183/4885HDAC3 3887/4885

“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.