SCHEMBL4081595

SCHEMBL4081595

O=C(O)CCNC(=O)c1ccc(CN(CC(c2ccccc2)c2ccccc2)C(=O)c2csc3ccc(Cl)cc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.80
GLP1R P43220 1/20 0.50
C5AR1 P21730 1/20 0.47
GIPR P48546 8/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
FFAR2 O15552 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
SCHEMBL2663072 0.92 GCGR (0.68) GCGRGLP1RC5AR1GIPRTMEM97
SCHEMBL2651408 0.88 GCGR (0.63) GCGRGLP1RC5AR1GIPRTMEM97
SCHEMBL2651413 0.88 GCGR (0.63) GCGRGLP1RC5AR1GIPRTMEM97
SCHEMBL2663066 0.83 GCGR (0.67) GCGRGLP1RC5AR1GIPRTMEM97
SCHEMBL13800474 0.81 GCGR (0.61) GCGRGLP1RGIPRTMEM97SIGMAR1
SCHEMBL4086333 0.79 GCGR (0.73) GCGRGIPRTMEM97SIGMAR1
SCHEMBL4087887 0.78 GCGR (0.52) GCGRGLP1RGIPRTMEM97SIGMAR1
SCHEMBL2663347 0.77 GCGR (0.56) GCGRGLP1RTMEM97SIGMAR1
SCHEMBL13800470 0.76 HDAC1 (0.58) GCGRGLP1R
SCHEMBL2663346 0.75 GCGR (0.49) GCGRGLP1RGIPRTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
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
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 (4 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE GCGR 267/4885GLP1R 140/4885C5AR1 3164/4885
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GLP1R 1/4885C5AR1 2480/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885GLP1R 1/4885C5AR1 2480/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GLP1R 1/4885C5AR1 2480/4885

“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.