SCHEMBL6006392

SCHEMBL6006392

Bc1ccc2c(c1)C(CCBr)(CCBr)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.37
HTR7 P34969 3/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL2257097 0.82 LMNA (0.44) PGR
SCHEMBL7348793 0.81 PGR (0.49) PGRHTR7IDO1
SCHEMBL12060509 0.79 LMNA (0.40) PGR
SCHEMBL25115048 0.74 IDO1 (0.43) PGRHTR7IDO1
SCHEMBL1234098 0.72 CMA1 (0.41)
SCHEMBL12845647 0.71 MAPK14 (0.44)
SCHEMBL12072640 0.70 PDK2 (0.55) PGR
SCHEMBL13088966 0.67 PGR (0.44) PGRHTR7
SCHEMBL19426619 0.66 PIK3CD (0.41) PGRHTR7IDO1
SCHEMBL2988575 0.64 HTR7 (0.46) PGRHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 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-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR PGR 743/4885HTR7 262/4885IDO1 1514/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL PGR 918/4885HTR7 125/4885IDO1 2926/4885

“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.