SCHEMBL2317499

SCHEMBL2317499

Cn1ncc(C(=O)NC2CCCCCC2)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.62
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD11B1 P28845 1/20 0.55
GAA P10253 2/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CNR2 P34972 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SPR P35270 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2318742 0.80 ALDH1A1 (0.53) CNR1ALDH1A1RAB9A
SCHEMBL4080438 0.77 CNR1 (1.00) CNR1ALDH1A1KMT2ALMNAMEN1
SCHEMBL20812431 0.76 CRBN (0.57)
SCHEMBL2360650 0.76 HSD11B1 (0.56) CNR1ALDH1A1LMNASMN1; SMN2HSD11B1
SCHEMBL2320009 0.76 HSD11B1 (0.56) CNR1ALDH1A1LMNASMN1; SMN2HSD11B1
SCHEMBL826906 0.75 ROCK1 (0.49) ALDH1A1KDM4E
SCHEMBL2318097 0.74 MEN1 (0.53) CNR1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL23626145 0.74 HSD11B1 (0.57) CNR1ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL2854511 0.73 SPR (0.64) KMT2AMEN1SMN1; SMN2HSD11B1RAB9A
SCHEMBL17324820 0.73 ROCK1 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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
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 claimed
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-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 CNR1 1910/4885ALDH1A1 333/4885KMT2A 4095/4885

“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.