SCHEMBL4092078

SCHEMBL4092078

COC(=O)c1ccc(C(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.63
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
EPHX2 P34913 7/20 0.51
FAAH O00519 2/20 0.51
GCGR P47871 2/20 0.50
ADCY6 O43306 1/20 0.50
ADCY3 O60266 1/20 0.50
ADCY9 O60503 1/20 0.50
ADCY5 O95622 1/20 0.50
ADCY8 P40145 1/20 0.50
ADCY7 P51828 1/20 0.50
ADCY2 Q08462 1/20 0.50
ADCY1 Q08828 1/20 0.50
ADCY4 Q8NFM4 1/20 0.50
NR1H4 Q96RI1 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4096999 0.91 TRPV1 (0.63) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL6289141 0.85 GCGR (0.65) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL2657722 0.85 GCGR (0.61) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL4097353 0.84 GCGR (0.72) TRPV1EPHX2GCGRADCY6ADCY3
SCHEMBL2646738 0.83 GCGR (0.54) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL4091185 0.82 GCGR (0.58) TRPV1GCGRADCY6ADCY3ADCY9
SCHEMBL2654655 0.81 TRPV1 (0.52) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL2643012 0.79 GCGR (0.49) TRPV1ALDH1A1HPGDEPHX2FAAH
SCHEMBL6289580 0.78 EPHX2 (0.64) TRPV1HPGDEPHX2NR1H4MEN1
SCHEMBL20805840 0.77 EPHX2 (0.77) TRPV1ALDH1A1HPGDEPHX2FAAH

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 10 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-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US 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-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 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-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 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 (5 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 TRPV1 1930/4885ALDH1A1 3968/4885HPGD 1678/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR TRPV1 1930/4885ALDH1A1 3968/4885HPGD 1678/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TRPV1 2269/4885ALDH1A1 4046/4885HPGD 2011/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TRPV1 1930/4885ALDH1A1 3968/4885HPGD 1678/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TRPV1 2269/4885ALDH1A1 4046/4885HPGD 2011/4885

“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.