SCHEMBL2648701

SCHEMBL2648701

O=C(O)CCNC(=O)c1ccc(CNc2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.58
GIPR P48546 7/20 0.58
GLP1R P43220 1/20 0.58
GCG P01275 3/20 0.49
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2649311 0.88 GCGR (0.47) GCGRGIPRGLP1RNPC1RAB9A
SCHEMBL9071343 0.82 GCGR (0.42) GCGRGIPRGLP1RFFAR1
SCHEMBL2665548 0.82 GCGR (0.51) GCGRGIPRGLP1RNPC1RAB9A
SCHEMBL9070862 0.79 GCGR (0.70) GCGRGIPRGLP1RSMN1; SMN2
SCHEMBL2651174 0.78 AGER (0.51) GCGRGCGFFAR1FFAR4
SCHEMBL2665106 0.78 GCGR (0.55) GCGRGIPRGLP1R
SCHEMBL2665099 0.78 GCGR (0.52) GCGRGIPRGLP1RNPC1RAB9A
SCHEMBL2643601 0.78 CA1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2653992 0.78 CA1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2665170 0.77 GCGR (0.53) GCGRGIPRGLP1RNPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
WO-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR GCGR 2/4885GIPR 3/4885GLP1R 1/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR GCGR 2/4885GIPR 3/4885GLP1R 1/4885

“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.