SCHEMBL3552350

SCHEMBL3552350

Cc1ccc(-c2oncc2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CHRNA4 P43681 1/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL3185611 0.88 HCRTR1 (0.52) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3186687 0.82 ALDH1A1 (0.54) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3546990 0.81 HCRTR1 (0.53) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL13501704 0.80 CYP46A1 (0.51) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3554777 0.79 HCRTR1 (0.52) ALDH1A1HCRTR1HCRTR2NPC1LMNA
SCHEMBL3555313 0.79 HCRTR1 (0.49) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3552122 0.79 HCRTR1 (0.50) ALDH1A1HPGDHCRTR1HCRTR2CYP2C19
SCHEMBL3549632 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3545756 0.77 HCRTR1 (0.43) ALDH1A1HPGDHCRTR1HCRTR2NPC1
SCHEMBL3546539 0.76 HCRTR1 (0.47) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ALDH1A1 86/4885HPGD 165/4885HCRTR1 314/4885

“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.