SCHEMBL1406641

SCHEMBL1406641

COCCn1ncc(C(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NR3C1 P04150 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALKBH1 Q13686 1/20 0.39
PTGER4 P35408 3/20 0.36
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.34
NR4A3 Q92570 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
SCHEMBL1407003 0.91 ALKBH1 (0.36) HCAR3MAOAMAOBNR3C1KDM4C
SCHEMBL1406887 0.91 NR3C1 (0.42) HCAR3MAOAMAOBNR3C1KDM4C
SCHEMBL3290176 0.84 ALKBH1 (0.35) MAOAMAOBNR3C1KDM4CALKBH1
SCHEMBL1406998 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL27758253 0.81 ALDH1A1 (0.43) HCAR3MAOAMAOBKDM4CALDH1A1
SCHEMBL4716749 0.79 AGTR1 (0.41) HCAR3ALKBH1NR4A3
SCHEMBL3289959 0.78 KDM4C (0.37) HCAR3MAOAMAOBNR3C1KDM4C
SCHEMBL4968650 0.78 POLB (0.42) ALKBH1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL1406899 0.78 POLB (0.47) HCAR3KDM4CPTGER4LRRK2ALDH1A1
SCHEMBL19321046 0.77 HCAR3 (0.38) HCAR3MAOAMAOBNR3C1KDM4C

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
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
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 HCAR3 1025/4885MAOA 1381/4885MAOB 859/4885

“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.