SCHEMBL1670940

SCHEMBL1670940

CC(C)[Si](O[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)[C@H](O)c2cccnc21)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.36
P2RX7 Q99572 3/20 0.33
FFAR1 O14842 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
SCHEMBL1670024 0.87 HTR1A (0.30)
SCHEMBL1670680 0.84 P2RX7 (0.32) CALCRLP2RX7FFAR1
SCHEMBL1670681 0.84 P2RX7 (0.32) CALCRLP2RX7FFAR1
SCHEMBL1670679 0.84 P2RX7 (0.32) CALCRLP2RX7FFAR1
SCHEMBL829734 0.83 CALCRL (0.49) CALCRLP2RX7
SCHEMBL16615981 0.83 CALCRL (0.49) CALCRLP2RX7
SCHEMBL830000 0.83 CALCRL (0.49) CALCRLP2RX7
SCHEMBL1670184 0.83 CALCRL (0.49) CALCRLP2RX7
SCHEMBL1672795 0.83 CALCRL (0.49) CALCRLP2RX7
SCHEMBL12206939 0.79 P2RX7 (0.37) CALCRLP2RX7

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
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-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
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
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 CALCRL 1/4885P2RX7 188/4885FFAR1 432/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885P2RX7 188/4885FFAR1 432/4885

“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.