SCHEMBL1671147

SCHEMBL1671147

CC(=O)O[C@@H]1c2cccnc2[C@H](O)CC[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.46

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
SCHEMBL1671144 1.00 P2RX7 (0.46) P2RX7
SCHEMBL1671149 1.00 P2RX7 (0.46) P2RX7
SCHEMBL1670681 0.83 P2RX7 (0.32) P2RX7
SCHEMBL1670680 0.83 P2RX7 (0.32) P2RX7
SCHEMBL1670679 0.83 P2RX7 (0.32) P2RX7
SCHEMBL1670191 0.83 P2RX7 (0.46) P2RX7
SCHEMBL1670194 0.83 P2RX7 (0.46) P2RX7
SCHEMBL1670190 0.83 P2RX7 (0.46) P2RX7
SCHEMBL2514975 0.72 CALCRL (0.66)
SCHEMBL2514970 0.72 CALCRL (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488512-B1 CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2013-11-27 EP disclosed
US-20130053570-A1 CGRP Receptor Antagonists BRISTOL MYERS SQUIBB CO (US) 2013-02-28 US disclosed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
EP-2488512-A1 CGRP RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-08-22 EP disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 US disclosed
WO-2011046997-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO 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-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR P2RX7 188/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR P2RX7 188/4885

“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.