SCHEMBL3549161

SCHEMBL3549161

Cc1ccc(-c2oncc2C(=O)N2CCC(Cc3ccc(F)cc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
MLNR O43193 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK14 Q16539 1/20 0.42
OPRM1 P35372 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
GPBAR1 Q8TDU6 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
SCHEMBL3542969 0.95 HCRTR1 (0.49) HCRTR1HCRTR2MAPK14LMNASMN1; SMN2
SCHEMBL3546572 0.90 HCRTR1 (0.46) HCRTR1HCRTR2MAPK14SMN1; SMN2CYP46A1
SCHEMBL3549190 0.90 HCRTR1 (0.54) HCRTR1HCRTR2MAPK14ALDH1A1LMNA
SCHEMBL3548035 0.90 SLC2A1 (0.44) HCRTR1HCRTR2MAPK14CYP46A1
SCHEMBL3542653 0.89 ALDH1A1 (0.46) HCRTR1HCRTR2MAPK14OPRM1ALDH1A1
SCHEMBL3542304 0.84 CYP2C9 (0.58) HCRTR1HCRTR2MAPK14ALDH1A1LMNA
SCHEMBL3546658 0.83 RAB9A (0.53) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL13501910 0.83 HCRTR1 (0.46) HCRTR1HCRTR2CYP3A4MAPK14LMNA
SCHEMBL3551506 0.81 HCRTR1 (0.49) HCRTR1HCRTR2MAPK14LMNASMN1; SMN2
SCHEMBL3550041 0.81 MAPK14 (0.47) MLNRCYP3A4MAPK14

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 531/4885MLNR 2342/4885

“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.