SCHEMBL2653489

SCHEMBL2653489

O=C(NCC(O)C(=O)O)c1ccc(CN(CC(c2ccccc2)c2ccccc2)C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.45
GIPR P48546 2/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC2 Q92769 1/20 0.40
IDO1 P14902 1/20 0.40
HDAC3 O15379 1/20 0.39
MAPK14 Q16539 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39

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
SCHEMBL2653487 1.00 GCGR (0.45) GCGRGIPRKDM4EGAAKMT2A
SCHEMBL2652184 0.81 GCGR (0.53) GCGRGIPRHDAC1HDAC6HDAC2
SCHEMBL2652179 0.81 GCGR (0.53) GCGRGIPRHDAC1HDAC6HDAC2
SCHEMBL2663429 0.73 GCGR (0.54) GCGRGIPR
SCHEMBL2663348 0.72 GCGR (0.50) GCGRGIPRMAPK14
SCHEMBL2653223 0.69 GCGR (0.48) GCGRGIPR
SCHEMBL2653219 0.69 GCGR (0.48) GCGRGIPR
SCHEMBL2663374 0.68 GCGR (0.53) GCGRGIPR
SCHEMBL9072696 0.67 MAPK14 (0.49) GCGRGIPRMAPK14
SCHEMBL17149817 0.67 KDM4E (0.63) KDM4EGAAKMT2AMAPTHDAC1

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-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US claimed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO 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
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 disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 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 (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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885KDM4E 3671/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885KDM4E 3671/4885

“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.