SCHEMBL4087884

SCHEMBL4087884

COC(=O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(-c3ccccc3)n[nH]2)C2(C(C)(C)C)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
MAPK14 Q16539 2/20 0.37
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GCGR P47871 12/20 0.36
HTT P42858 1/20 0.35
GIPR P48546 6/20 0.35
MAPK11 Q15759 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL4096544 0.93 GCGR (0.43) MAPK14DDR1DDR2MAPTTP53
SCHEMBL4088222 0.80 GCGR (0.43) GCGRHTTGIPR
SCHEMBL4087882 0.80 GCGR (0.61) GCGRGIPR
SCHEMBL4087879 0.80 GCGR (0.61) GCGRGIPR
SCHEMBL4092650 0.76 GCGR (0.55) GCGRGIPR
SCHEMBL4096541 0.73 GCGR (0.71) GCGRGIPR
SCHEMBL4087162 0.73 GCGR (0.48) GCGRGIPR
SCHEMBL2659853 0.66 MAPT (0.44) MAPTTP53GCGRHTTGIPR
SCHEMBL6289547 0.65 MEN1 (0.47) GCGRHTTGIPR
SCHEMBL6566137 0.63 ADORA1 (0.56) MAPK14MAPTTP53ADORA3ADORA2A

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
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 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 (3 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ITK 4225/4885MAPK14 1054/4885DDR1 3031/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ITK 4225/4885MAPK14 1054/4885DDR1 3031/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ITK 4225/4885MAPK14 1054/4885DDR1 3031/4885

“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.