SCHEMBL828426

SCHEMBL828426

CC(=O)OC1c2cccnc2C(O[Si](C(C)C)(C(C)C)C(C)C)CCC1Br

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
P2RX7 Q99572 2/20 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
SCHEMBL1671233 0.81 CALCRL (0.42) POLBP2RX7
SCHEMBL1671229 0.81 CALCRL (0.42) POLBP2RX7
SCHEMBL2520691 0.81 CALCRL (0.42) POLBP2RX7
SCHEMBL1670680 0.81 P2RX7 (0.32) POLBP2RX7
SCHEMBL1671230 0.81 CALCRL (0.42) POLBP2RX7
SCHEMBL1670681 0.81 P2RX7 (0.32) POLBP2RX7
SCHEMBL1670679 0.81 P2RX7 (0.32) POLBP2RX7
SCHEMBL829076 0.80 POLB (0.40) POLB
SCHEMBL10286032 0.75 POLB (0.37) POLBP2RX7
SCHEMBL10286169 0.75 POLB (0.37) POLBP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271640-B1 Piperidine derivatives as CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
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
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
EP-2271640-A2 PIPERIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
WO-2009126530-A2 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 WO disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 US disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 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 (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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3196/4885P2RX7 182/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR POLB 3196/4885P2RX7 182/4885

“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.