SCHEMBL4096741

SCHEMBL4096741

CC(C)(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.62
ADCY3 O60266 1/20 0.62
ADCY9 O60503 1/20 0.62
ADCY5 O95622 1/20 0.62
ADCY8 P40145 1/20 0.62
GCGR P47871 1/20 0.62
ADCY7 P51828 1/20 0.62
ADCY2 Q08462 1/20 0.62
ADCY1 Q08828 1/20 0.62
ADCY4 Q8NFM4 1/20 0.62
HDAC3 O15379 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TRPV1 Q8NER1 5/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NAMPT P43490 1/20 0.53
NR1H4 Q96RI1 2/20 0.53

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
SCHEMBL2658910 0.88 NR1H4 (0.58) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL4092773 0.87 NR1H4 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4081330 0.86 GCGR (0.59) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4088384 0.81 GCGR (0.62) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7303163 0.81 HDAC3 (0.86) HDAC3HDAC11HDAC8HDAC6TRPV1
SCHEMBL4081943 0.80 XDH (0.55) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4088382 0.78 GCGR (0.60) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4086742 0.77 GCGR (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2653338 0.76 L3MBTL1 (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL4086789 0.76 HDAC3 (0.63) GCGRHDAC3HDAC11HDAC8HDAC6

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 ADCY6 956/4885ADCY3 423/4885ADCY9 846/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ADCY6 956/4885ADCY3 423/4885ADCY9 846/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ADCY6 956/4885ADCY3 423/4885ADCY9 846/4885

“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.