SCHEMBL2984308

SCHEMBL2984308

COC(=O)C(=Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
EEF2K O00418 1/20 0.38
MAP4K4 O95819 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3B P49841 1/20 0.38
PRKX P51817 1/20 0.38
NEK4 P51957 1/20 0.38
PRKG2 Q13237 1/20 0.38
PKN2 Q16513 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
AURKB Q96GD4 1/20 0.38
PBK Q96KB5 1/20 0.38
SLK Q9H2G2 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL13052399 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2984307 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL13081362 0.93 ROCK2 (0.39) SMN1; SMN2ROCK2ROCK1EEF2KMAP4K4
SCHEMBL27626905 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2980044 0.78 KDM4E (0.37) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2980043 0.78 KDM4E (0.37) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL14503606 0.77 ROCK2 (0.43) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL27664776 0.76 ROCK2 (0.41) SMN1; SMN2ROCK2ROCK1EEF2KMAP4K4
SCHEMBL29679348 0.76 CYP3A4 (0.43) ROCK2ROCK1MEN1KMT2A
SCHEMBL29679262 0.76 POLB (0.42) KDM4EALDH1A1HPGDLMNASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-7842808-B2 calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
CN-100558428-C Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2009-11-11 CN disclosed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
CN-1917921-A Calcitonin gene related peptide receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2007-02-21 CN disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 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 (6 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885ALDH1A1 2525/4885HPGD 431/4885
US-20070149503-A1 ANTI-MIGRAINE SPIROCYCLES CALCRL, CALCR, CALCA KDM4E 4590/4885ALDH1A1 1998/4885HPGD 167/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA KDM4E 4595/4885ALDH1A1 3082/4885HPGD 384/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA KDM4E 4694/4885ALDH1A1 2186/4885HPGD 171/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL KDM4E 4498/4885ALDH1A1 2510/4885HPGD 197/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885ALDH1A1 2525/4885HPGD 431/4885

“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.