SCHEMBL3548035

SCHEMBL3548035

Cc1ccc(-c2oncc2C(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
RIPK1 Q13546 2/20 0.42
CCR5 P51681 1/20 0.41
MDM2 Q00987 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
STAT3 P40763 1/20 0.41
SPR P35270 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
P2RX3 P56373 2/20 0.40
HDAC4 P56524 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MGLL Q99685 1/20 0.40
LIPE Q05469 1/20 0.39

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
SCHEMBL3542969 0.92 HCRTR1 (0.49) HCRTR1HCRTR2RIPK1CCR5CYP46A1
SCHEMBL3552516 0.91 CYP2C9 (0.51) SLC2A1HCRTR1HCRTR2RIPK1CYP46A1
SCHEMBL3549161 0.90 HCRTR1 (0.46) HCRTR1HCRTR2CYP46A1MAPK14
SCHEMBL13501910 0.90 HCRTR1 (0.46) HCRTR1HCRTR2RIPK1CYP46A1CYP2C9
SCHEMBL3546572 0.88 HCRTR1 (0.46) HCRTR1HCRTR2RIPK1CCR5CYP46A1
SCHEMBL3549190 0.88 HCRTR1 (0.54) HCRTR1HCRTR2CYP46A1SPRCYP2C9
SCHEMBL3542653 0.86 ALDH1A1 (0.46) HCRTR1HCRTR2RIPK1CCR5CYP2C9
SCHEMBL3550044 0.85 CYP2C9 (0.58) SLC2A1CYP46A1TRPV1CYP2C9CYP2C19
SCHEMBL3549499 0.84 HCRTR1 (0.46) HCRTR1HCRTR2TRPV1LIPE
SCHEMBL3544988 0.84 HCRTR1 (0.46) HCRTR1HCRTR2TRPV1LIPE

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 SLC2A1 566/4885HCRTR1 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.