SCHEMBL1407022

SCHEMBL1407022

O=C(O)c1cnn([C@H]2CC[C@@H](O)CC2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK2 Q15119 1/20 0.41
KEAP1 Q14145 6/20 0.37
NFE2L2 Q16236 6/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD11B1 P28845 1/20 0.37
RAB9A P51151 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CRHBP P24387 1/20 0.36
MC4R P32245 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 3/20 0.36
ASPH Q12797 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL1407020 1.00 POLB (0.47) POLBMAPTSMN1; SMN2PDK2KEAP1
SCHEMBL1407186 1.00 POLB (0.47) POLBMAPTSMN1; SMN2PDK2KEAP1
SCHEMBL1406966 0.94 MAPT (0.51) POLBMAPTSMN1; SMN2KEAP1NFE2L2
Potassium SCHEMBL31133556 0.93 MAPT (0.50) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL28613582 0.93 MAPT (0.50) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL1406647 0.88 POLB (0.49) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL1407231 0.88 POLB (0.49) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL27172741 0.87 POLB (0.48) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL1406795 0.87 POLB (0.48) POLBMAPTSMN1; SMN2KEAP1NFE2L2
SCHEMBL2294485 0.84 MAPT (0.46) POLBMAPTSMN1; SMN2KEAP1NFE2L2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP claimed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US claimed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 US claimed
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN 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
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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 1549/4885MAPT 4272/4885SMN1; SMN2 3959/4885

“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.