SCHEMBL2651408

SCHEMBL2651408

O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(CC(c2ccccc2)c2ccccc2)C(=O)c2csc3ccc(Cl)cc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.63
C5AR1 P21730 1/20 0.47
GIPR P48546 6/20 0.39
GLP1R P43220 3/20 0.38
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
MAPT P10636 1/20 0.36
FFAR2 O15552 1/20 0.36
CXCR3 P49682 1/20 0.35
PRMT5 O14744 2/20 0.35
P2RX7 Q99572 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL2651413 1.00 GCGR (0.63) GCGRC5AR1GIPRGLP1RTMEM97
SCHEMBL4081595 0.88 GCGR (0.80) GCGRC5AR1GIPRGLP1RTMEM97
SCHEMBL2663072 0.80 GCGR (0.68) GCGRC5AR1GIPRGLP1RTMEM97
SCHEMBL6288851 0.76 GCGR (0.59) GCGRC5AR1GIPRGLP1R
SCHEMBL6288850 0.76 GCGR (0.59) GCGRC5AR1GIPRGLP1R
SCHEMBL13800474 0.68 GCGR (0.61) GCGRGIPRGLP1RTMEM97SIGMAR1
SCHEMBL4086333 0.68 GCGR (0.73) GCGRGIPRTMEM97SIGMAR1
SCHEMBL2652179 0.67 GCGR (0.53) GCGRGIPRCXCR3
SCHEMBL2652184 0.67 GCGR (0.53) GCGRGIPRCXCR3
SCHEMBL2653219 0.67 GCGR (0.48) GCGRGIPRGLP1R

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-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US claimed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US claimed
US-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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 (1 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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885C5AR1 2909/4885GIPR 4/4885

“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.