SCHEMBL3555052

SCHEMBL3555052

O=C(c1cnoc1-c1ccccc1Cl)N1CCCC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 8/20 0.49
SCD O00767 6/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HCRTR1 O43613 7/20 0.48
HCRTR2 O43614 7/20 0.48

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
SCHEMBL13501713 0.93 SCD (0.48) SCD5SCDHCRTR1HCRTR2
SCHEMBL13501707 0.85 SCD5 (0.60) SCD5SCDHSP90AA1HSP90AB1
SCHEMBL3549978 0.85 SCD5 (0.52) SCD5SCDHSP90AA1HSP90AB1
SCHEMBL3547022 0.82 SCD5 (0.52) SCD5HCRTR1HCRTR2
SCHEMBL3543779 0.82 SCD (0.54) SCD5SCDHSP90AA1HSP90AB1HCRTR1
SCHEMBL3542867 0.81 SCD5 (0.63) SCD5SCDHCRTR1HCRTR2
SCHEMBL3546279 0.81 SCD5 (0.52) SCD5SCDHSP90AA1HSP90AB1
SCHEMBL3548118 0.81 SCD5 (0.54) SCD5SCDHSP90AA1HSP90AB1
SCHEMBL13501697 0.81 SCD5 (0.54) SCD5SCDHCRTR1HCRTR2
SCHEMBL3165821 0.80 KCNK3 (0.42) HCRTR1HCRTR2

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 SCD5 1155/4885SCD 599/4885HSP90AA1 1231/4885

“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.