SCHEMBL829076

SCHEMBL829076

CC(=O)OC1c2cccnc2C(C)CCC1Br

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
KMT2A Q03164 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL828426 0.80 POLB (0.35) POLB
SCHEMBL828603 0.78 TBXAS1 (0.47) POLBTBXAS1
SCHEMBL14885001 0.76 POLB (0.36) POLB
SCHEMBL23922965 0.76 POLB (0.36) POLB
SCHEMBL10286029 0.76 POLB (0.42) POLBEDNRBEDNRA
SCHEMBL12801167 0.74 POLB (0.32) POLB
SCHEMBL10286169 0.73 POLB (0.37) POLBEDNRBEDNRATBXAS1
SCHEMBL10286032 0.73 POLB (0.37) POLBEDNRBEDNRATBXAS1
SCHEMBL6177530 0.72 HTR2A (0.36) KMT2A
SCHEMBL26571811 0.67 HTR2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 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 (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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3196/4885EDNRB 17/4885EDNRA 27/4885

“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.