SCHEMBL4097486

SCHEMBL4097486

O=C(O)CCNC(=O)c1ccc(CN(C(=O)Oc2ccccc2[N+](=O)[O-])c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.64
STAT3 P40763 5/20 0.46
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
GIPR P48546 8/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLP1R P43220 1/20 0.39
CYP2D6 P10635 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
SCHEMBL4085341 0.86 GCGR (0.67) GCGRSTAT3GIPRSMN1; SMN2GLP1R
SCHEMBL2663322 0.85 GCGR (0.57) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL2663319 0.85 GCGR (0.75) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL2653454 0.84 GCGR (0.63) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL2666459 0.82 GCGR (0.64) GCGRSTAT3GIPRGLP1R
SCHEMBL2656083 0.82 GCGR (0.59) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL2662786 0.81 GCGR (0.58) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL13800141 0.81 GCGR (0.65) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL9070861 0.81 GCGR (0.65) GCGRSTAT3OPRM1OPRK1GIPR
SCHEMBL2662777 0.81 GCGR (0.57) GCGRSTAT3GIPRSMN1; SMN2GLP1R

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 8 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
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
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN 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 GCGR 3/4885STAT3 1079/4885OPRM1 826/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885STAT3 1079/4885OPRM1 826/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885STAT3 1079/4885OPRM1 826/4885

“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.