SCHEMBL1672923

SCHEMBL1672923

CC(=O)OC1c2cccnc2C(OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CCC1c1cccc(F)c1F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.81
ADRB2 P07550 1/20 0.80
CYP3A4 P08684 1/20 0.80

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
SCHEMBL1672921 1.00 CALCRL (0.81) CALCRLADRB2CYP3A4
SCHEMBL30231460 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL2516458 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL1670773 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL1671060 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL30231391 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL1670772 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL1670790 0.90 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL1671290 0.89 CALCRL (0.82) CALCRLADRB2CYP3A4
SCHEMBL2521288 0.89 CALCRL (0.82) CALCRLADRB2CYP3A4

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 CALCRL 1/4885ADRB2 44/4885CYP3A4 2984/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885ADRB2 44/4885CYP3A4 2984/4885

“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.