SCHEMBL3553673

SCHEMBL3553673

COc1cccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 4/20 0.52
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 1/20 0.48
ROCK2 O75116 1/20 0.48
GRM5 P41594 1/20 0.47
RAB9A P51151 3/20 0.47
SCD O00767 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
HSD11B1 P28845 1/20 0.45
CACNA1B Q00975 1/20 0.45

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
SCHEMBL3547284 0.89 ALDH1A1 (0.56) SCD5HCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL3553110 0.87 HCRTR1 (0.56) SCD5HCRTR1HCRTR2NPC1HPGD
SCHEMBL3542458 0.87 SCD5 (0.60) SCD5HCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL3550946 0.85 SCD5 (0.61) SCD5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3542759 0.85 SCD5 (0.54) SCD5HCRTR1HCRTR2GRM5RAB9A
SCHEMBL3547361 0.83 HCRTR1 (0.55) SCD5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3543132 0.82 HCRTR1 (0.56) SCD5HCRTR1HCRTR2NPC1LMNA
SCHEMBL3547562 0.82 ROCK2 (0.52) SCD5HCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL3548320 0.81 MEN1 (0.50) HCRTR1HCRTR2NPC1ALDH1A1LMNA
SCHEMBL3551884 0.81 HCRTR1 (0.52) SCD5HCRTR1HCRTR2NPC1ALDH1A1

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 SCD5 1155/4885HCRTR1 314/4885HCRTR2 531/4885

“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.