SCHEMBL1407149

SCHEMBL1407149

COC(C)Cn1ncc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.37
KMO O15229 3/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
NR4A3 Q92570 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PDE5A O76074 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPBWR1 P48145 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3290176 0.79 ALKBH1 (0.35) ALKBH1KMOALDH1A1NR4A3AKR1C2
SCHEMBL26135833 0.78 ALKBH1 (0.37) ALKBH1KMOTSHRALDH1A1NR4A3
SCHEMBL4968650 0.76 POLB (0.42) ALKBH1TSHRALDH1A1NPC1LMNA
SCHEMBL1406641 0.76 HCAR3 (0.41) ALKBH1ALDH1A1NR4A3SMN1; SMN2KDM4E
SCHEMBL1406887 0.73 NR3C1 (0.42) ALKBH1KMOHTT
SCHEMBL1407003 0.71 ALKBH1 (0.36) ALKBH1ALDH1A1KMT2A
SCHEMBL4716749 0.71 AGTR1 (0.41) ALKBH1KMONR4A3
SCHEMBL31352358 0.69 ALDH1A1 (0.42) TSHRALDH1A1NPC1LMNANR4A3
SCHEMBL26133999 0.69 SMN1; SMN2 (0.39) ALKBH1KMOTSHRALDH1A1NPC1
SCHEMBL966692 0.68 KDM4E (0.41) ALKBH1ALDH1A1NPC1NR4A3SMN1; SMN2

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 ALKBH1 3691/4885KMO 1660/4885TSHR 2768/4885

“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.