SCHEMBL3552122

SCHEMBL3552122

Cc1ccc(-c2oncc2C(=O)N2Cc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
HSP90AA1 P07900 9/20 0.48
HSP90AB1 P08238 5/20 0.47
HSP90B1 P14625 2/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
TRAP1 Q12931 1/20 0.43
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL3547235 0.92 MAPT (0.61) PLA2G1BMAPTATG4BPDE4BPDE4D
SCHEMBL3186687 0.83 ALDH1A1 (0.54) HCRTR1HCRTR2ALDH1A1LMNAHPGD
SCHEMBL3548124 0.81 MEN1 (0.53) HCRTR1HCRTR2MAPTALDH1A1LMNA
SCHEMBL3540470 0.80 ALDH1A1 (0.42) HCRTR1HCRTR2PLA2G1BMAPTATG4B
SCHEMBL3553078 0.79 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL3552350 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2ALDH1A1LMNAHTT
SCHEMBL3549632 0.79 ALDH1A1 (0.50) HCRTR1HCRTR2ALDH1A1LMNAHTT
SCHEMBL3185611 0.79 HCRTR1 (0.52) HCRTR1HCRTR2PLA2G1BMAPTATG4B
SCHEMBL13501704 0.79 CYP46A1 (0.51) HCRTR1HCRTR2ALDH1A1LMNAHPGD
SCHEMBL3546337 0.78 CYP46A1 (0.56) HCRTR1HCRTR2ALDH1A1LMNAHPGD

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 7 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
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 531/4885PLA2G1B 4324/4885

“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.