SCHEMBL3553078

SCHEMBL3553078

Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
HCRTR2 O43614 2/20 0.53
SCD5 Q86SK9 10/20 0.50
SCD O00767 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F11 P03951 2/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL3543132 0.94 HCRTR1 (0.56) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL3554777 0.88 HCRTR1 (0.52) HCRTR1HCRTR2SCD5ALDH1A1NPC1
SCHEMBL3542458 0.85 SCD5 (0.60) HCRTR1HCRTR2SCD5SCDALDH1A1
SCHEMBL13501704 0.85 CYP46A1 (0.51) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3540493 0.84 ALDH1A1 (0.51) HCRTR1HCRTR2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3542304 0.84 CYP2C9 (0.58) HCRTR1HCRTR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL3553605 0.84 HCRTR1 (0.48) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL13501688 0.83 HCRTR1 (0.49) HCRTR1HCRTR2SCD5SCDTP53
SCHEMBL13501684 0.83 HCRTR1 (0.49) HCRTR1HCRTR2SCD5SCDTP53
SCHEMBL2019923 0.83 HCRTR1 (0.49) HCRTR1HCRTR2SCD5SCDTP53

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 531/4885SCD5 1155/4885

“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.