SCHEMBL4090966

SCHEMBL4090966

CC(C)(C)C1CCC(NCc2ccc(CNc3nn[nH]n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.52
CTH P32929 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GCGR P47871 12/20 0.42
GIPR P48546 2/20 0.42
ALPL P05186 1/20 0.40
GCG P01275 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL4081919 0.85 GCGR (0.59) GCGRGIPRGCG
SCHEMBL2643119 0.78 GCGR (0.38) GCGRGIPRALPL
SCHEMBL9782907 0.74 KDM1A (0.49) ALDH1A1ALPLMEN1RAB9AKMT2A
SCHEMBL22570093 0.74 BCHE (0.51) ALDH1A1ALPLMEN1RAB9AKMT2A
SCHEMBL9782901 0.74 KDM1A (0.49) ALDH1A1ALPLMEN1RAB9AKMT2A
SCHEMBL2988632 0.74 GRIN2B (0.59) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL7751595 0.74 GRIN2B (0.59) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL2988633 0.74 GRIN2B (0.59) ALDH1A1MEN1RAB9AKMT2A
SCHEMBL13813539 0.70 ALDH1A1 (0.45) ALDH1A1ALPLMEN1RAB9AKMT2A
SCHEMBL13799812 0.70 HDAC1 (0.50) ALDH1A1ALPLMEN1RAB9AKMT2A

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-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 (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 PANK3 2811/4885CTH 2974/4885ALDH1A1 3968/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR PANK3 2811/4885CTH 2974/4885ALDH1A1 3968/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PANK3 2811/4885CTH 2974/4885ALDH1A1 3968/4885

“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.