SCHEMBL1406770

SCHEMBL1406770

Cn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CNR2 P34972 4/20 0.48
CNR1 P21554 2/20 0.48
EPHX2 P34913 1/20 0.45
CASR P41180 4/20 0.45
PABPC1 P11940 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL1406914 0.99 POLB (0.55) POLBCNR2CNR1EPHX2CASR
SCHEMBL1407048 0.99 POLB (0.55) POLBCNR2CNR1EPHX2CASR
SCHEMBL1407243 0.92 POLB (0.55) POLBCNR2CNR1EPHX2CASR
SCHEMBL1407088 0.90 POLB (0.53) POLBCNR2CNR1EPHX2ALDH1A1
SCHEMBL1407259 0.90 POLB (0.53) POLBCNR2CNR1EPHX2CASR
SCHEMBL1406598 0.90 POLB (0.53) POLBCNR2CNR1EPHX2CASR
SCHEMBL1407044 0.87 POLB (0.50) POLBCNR2CNR1CASRKDM4E
SCHEMBL1406820 0.87 POLB (0.50) POLBCNR2CNR1EPHX2CASR
SCHEMBL1406965 0.85 POLB (0.51) POLBCNR2CNR1EPHX2CASR
SCHEMBL1406815 0.85 POLB (0.51) POLBCNR2CNR1EPHX2CASR

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
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 POLB 1549/4885CNR2 2639/4885CNR1 2967/4885

“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.