SCHEMBL4086797

SCHEMBL4086797

CCCCc1ccc(C(NC(=O)Nc2cccc(C#N)c2)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.42
CYSLTR1 Q9Y271 9/20 0.42
ROCK2 O75116 4/20 0.41
TRPV1 Q8NER1 2/20 0.41
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PLK1 P53350 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
SCHEMBL4081375 0.88 TRPV1 (0.55) CYSLTR2CYSLTR1TRPV1MAPT
SCHEMBL4086902 0.86 NR1H4 (0.53) ROCK2HDAC1MEN1ALDH1A1MAPT
SCHEMBL4085620 0.86 CYSLTR2 (0.42) CYSLTR2CYSLTR1TRPV1MEN1ALDH1A1
SCHEMBL4091869 0.85 ABCG2 (0.46) CYSLTR2CYSLTR1TRPV1MEN1ALDH1A1
SCHEMBL4086790 0.82 DCUN1D1 (0.42) CYSLTR2CYSLTR1TRPV1HDAC1
SCHEMBL4092624 0.79 GCGR (0.53)
SCHEMBL4086912 0.75 ROCK2 (0.48) ROCK2NR1H4
SCHEMBL4081625 0.74 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4097734 0.74 GCGR (0.51) ALDH1A1KMT2ANR1H4
SCHEMBL4092088 0.74 GCGR (0.47) MEN1ALDH1A1MAPTKMT2ANR1H4

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 CYSLTR2 2665/4885CYSLTR1 2292/4885ROCK2 2141/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR CYSLTR2 2665/4885CYSLTR1 2292/4885ROCK2 2141/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYSLTR2 2665/4885CYSLTR1 2292/4885ROCK2 2141/4885

“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.