SCHEMBL2318199

SCHEMBL2318199

Cn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1-n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CNR2 P34972 7/20 0.49
CNR1 P21554 4/20 0.49
CASR P41180 5/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 2/20 0.46
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL12435406 0.83 POLB (0.40) POLBCNR2CNR1CASRTSHR
SCHEMBL1406770 0.83 POLB (0.56) POLBCNR2CNR1CASRTSHR
SCHEMBL2320782 0.82 P2RX7 (0.52) CNR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1406914 0.82 POLB (0.55) POLBCNR2CNR1CASRTSHR
SCHEMBL1407243 0.82 POLB (0.55) POLBCNR2CNR1CASRTSHR
SCHEMBL1407048 0.82 POLB (0.55) POLBCNR2CNR1CASRTSHR
SCHEMBL1406796 0.81 POLB (0.62) POLBCNR2CNR1CASRTSHR
SCHEMBL1407181 0.80 POLB (0.53) POLBCNR2CNR1CASRTSHR
SCHEMBL1407259 0.80 POLB (0.53) POLBCNR2CNR1CASRTSHR
SCHEMBL1407088 0.80 POLB (0.53) POLBCNR2CNR1ALDH1A1NPSR1

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
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 EP claimed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 EP disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 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 (1 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-20060223852-A1 Pyrazoles GPR119, PDK2, PC POLB 3219/4885CNR2 1360/4885CNR1 1910/4885

“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.