SCHEMBL2651222

SCHEMBL2651222

O=[N+]([O-])c1ccc(OCC2CC2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
AR P10275 7/20 0.43
SIRT6 Q8N6T7 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL17948825 0.84 AR (0.43) ARSIRT6
SCHEMBL13836687 0.83 SIGMAR1 (0.52) SIGMAR1TLR4TLR2
SCHEMBL2558176 0.82 PARP10 (0.49) SIGMAR1TLR4TLR2
SCHEMBL29739999 0.82 PARP10 (0.49) SIGMAR1TLR4TLR2
SCHEMBL28034902 0.79 SIGMAR1 (0.49) SIGMAR1TLR4TLR2
SCHEMBL9112139 0.79 SIGMAR1 (0.49) SIGMAR1TLR4TLR2
SCHEMBL30140325 0.79 SIGMAR1 (0.49) SIGMAR1TLR4TLR2
SCHEMBL10352194 0.78 MAPT (0.56) TLR4TLR2ARSIRT6
SCHEMBL13481164 0.78 MAPT (0.63) ARSIRT6
SCHEMBL5460796 0.78 AR (0.47) AR

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-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
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO 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 SIGMAR1 1179/4885TLR4 2531/4885TLR2 2459/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR SIGMAR1 1179/4885TLR4 2531/4885TLR2 2459/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR SIGMAR1 1179/4885TLR4 2531/4885TLR2 2459/4885

“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.