SCHEMBL4529633

SCHEMBL4529633

O=C(CBr)c1cccc2sccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
CNR2 P34972 1/20 0.41
HPGDS O60760 1/20 0.41
MGLL Q99685 1/20 0.37
GSK3B P49841 4/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRK1 P41145 3/20 0.36

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
SCHEMBL4831587 0.84 CNR2 (0.41) PTPN1CNR2MGLLHDAC3HDAC4
SCHEMBL14380682 0.83 CNR2 (0.41) PTPN1CNR2MGLLHDAC3HDAC4
SCHEMBL6337807 0.83 CNR2 (0.41) CNR2MGLLHDAC3HDAC4HDAC1
SCHEMBL6327807 0.83 GSK3B (0.44) PTPN1CNR2MGLLGSK3BHDAC3
SCHEMBL6327050 0.81 ALDH1A1 (0.40) CNR2MGLLOPRM1OPRK1POLB
SCHEMBL2083799 0.78 NR4A1 (0.48) PTPN1CNR2HDAC3HDAC4HDAC1
SCHEMBL6329458 0.78 MGLL (0.42) CNR2MGLLOPRM1OPRK1HTR1A
SCHEMBL2987630 0.77 HDAC3 (0.57) PTPN1CNR2HPGDSHDAC3HDAC4
SCHEMBL827310 0.77 ALDH1A1 (0.47) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL827674 0.77 CNR2 (0.44) CNR2MGLLHDAC3HDAC4HDAC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B PTPN1 2006/4885CNR2 87/4885HPGDS 2154/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B PTPN1 1621/4885CNR2 28/4885HPGDS 2072/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C PTPN1 2159/4885CNR2 21/4885HPGDS 2106/4885

“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.