SCHEMBL3549190

SCHEMBL3549190

Cc1ccc(-c2oncc2C(=O)N2CCC(Cc3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
MAPK14 Q16539 4/20 0.51
HTR2B P41595 2/20 0.51
CYP46A1 Q9Y6A2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
FAAH O00519 1/20 0.48
TACR3 P29371 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MGLL Q99685 2/20 0.47
SPR P35270 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3542969 0.95 HCRTR1 (0.49) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3542304 0.94 CYP2C9 (0.58) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3549161 0.90 HCRTR1 (0.46) HCRTR1HCRTR2MAPK14CYP46A1SMN1; SMN2
SCHEMBL3546572 0.90 HCRTR1 (0.46) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL13501696 0.90 SPR (0.52) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3542653 0.89 ALDH1A1 (0.46) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3548035 0.88 SLC2A1 (0.44) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3552516 0.87 CYP2C9 (0.51) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL3551506 0.87 HCRTR1 (0.49) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL13501910 0.86 HCRTR1 (0.46) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14

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 HCRTR1 314/4885HCRTR2 531/4885CYP2C9 80/4885

“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.