SCHEMBL3549119

SCHEMBL3549119

COc1ccc(C2CCN(C(=O)c3cnoc3-c3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.46
RBP4 P02753 1/20 0.43
PROKR1 Q8TCW9 6/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
PIK3CA P42336 1/20 0.42
PRKAA2 P54646 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TRPC6 Q9Y210 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL3555064 0.92 TRPV1 (0.46) FASNPROKR1HCRTR1HCRTR2TRPV1
SCHEMBL3549499 0.90 HCRTR1 (0.46) FASNPROKR1LMNAHCRTR1HCRTR2
SCHEMBL3544988 0.90 HCRTR1 (0.46) FASNPROKR1LMNAHCRTR1HCRTR2
SCHEMBL3546907 0.90 NAMPT (0.45) FASNRBP4PROKR1HCRTR1HCRTR2
SCHEMBL3543644 0.89 NPC1 (0.46) FASNPROKR1HCRTR1HCRTR2MAPT
SCHEMBL3548320 0.89 MEN1 (0.50) PROKR1ALDH1A1LMNAHPGDHIF1A
SCHEMBL3544553 0.88 TRPV1 (0.47) PROKR1LMNAHCRTR1HCRTR2TRPV1
SCHEMBL3547284 0.88 ALDH1A1 (0.56) ALDH1A1LMNAHPGDHIF1AHCRTR1
SCHEMBL3544649 0.83 NAMPT (0.49) RBP4HCRTR1HCRTR2TRPV1
SCHEMBL3554777 0.81 HCRTR1 (0.52) PROKR1ALDH1A1LMNAHCRTR1HCRTR2

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 FASN 605/4885RBP4 430/4885PROKR1 878/4885

“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.