SCHEMBL3552516

SCHEMBL3552516

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 5/20 0.51
MAPK14 Q16539 5/20 0.51
HTR2B P41595 3/20 0.51
HDAC4 P56524 1/20 0.49
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
LIPE Q05469 1/20 0.47
TACR3 P29371 1/20 0.46
RIPK1 Q13546 2/20 0.44
SLC2A1 P11166 1/20 0.43
SPR P35270 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL3550044 0.94 CYP2C9 (0.58) CYP2C9CYP2C19MAPK14HTR2BHDAC4
SCHEMBL3548035 0.91 SLC2A1 (0.44) CYP2C9CYP2C19MAPK14HTR2BHDAC4
SCHEMBL3549190 0.87 HCRTR1 (0.54) CYP2C9CYP2C19MAPK14HTR2BHCRTR1
SCHEMBL13501696 0.87 SPR (0.52) CYP2C9CYP2C19MAPK14HTR2BHCRTR1
SCHEMBL3550889 0.87 TRPV1 (0.44) CYP2C9CYP2C19MAPK14HTR2BHDAC4
SCHEMBL13501910 0.86 HCRTR1 (0.46) CYP2C9CYP2C19MAPK14HTR2BHDAC4
SCHEMBL3546933 0.85 CYP2C9 (0.45) CYP2C9CYP2C19MAPK14HTR2BHDAC4
SCHEMBL3542969 0.82 HCRTR1 (0.49) CYP2C9CYP2C19MAPK14HTR2BHCRTR1
SCHEMBL3542304 0.81 CYP2C9 (0.58) CYP2C9CYP2C19MAPK14HTR2BHCRTR1
SCHEMBL3543223 0.81 SCD5 (0.52) 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 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 CYP2C9 80/4885CYP2C19 50/4885MAPK14 1432/4885

“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.