SCHEMBL3057553

SCHEMBL3057553

CCOC(=O)c1cnn(-c2ccccc2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.67
HTT P42858 3/20 0.60
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
NR4A3 Q92570 1/20 0.52
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
PDE4D Q08499 1/20 0.52

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
SCHEMBL6405411 0.89 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10340603 0.88 HTT (0.78) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10513861 0.88 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10340550 0.87 HTT (0.65) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL24304007 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL6052569 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10340692 0.86 HTT (0.64) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1065124 0.86 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL798337 0.84 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL13887626 0.84 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2HTTRAB9A

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-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 ALDH1A1 64/4885HPGD 51/4885SMN1; SMN2 2613/4885

“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.