SCHEMBL3549425

SCHEMBL3549425

O=C(c1cnoc1-c1ccccc1C(F)(F)F)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 4/20 0.55
RBP4 P02753 3/20 0.48
SPR P35270 1/20 0.48
NAMPT P43490 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 4/20 0.43
RORC P51449 1/20 0.42
CCR5 P51681 1/20 0.41
SCD O00767 1/20 0.40
CYP2C9 P11712 2/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC9A1 P19634 1/20 0.40

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
SCHEMBL3543167 0.86 SPR (0.55) SCD5SPRNAMPTHSD11B1RORC
SCHEMBL3544649 0.84 NAMPT (0.49) SCD5RBP4SPRNAMPTCYP3A4
SCHEMBL13501692 0.84 HCRTR1 (0.53) SCD5SPRNAMPTHSD11B1SCD
SCHEMBL3551569 0.84 HCRTR1 (0.53) SCD5SPRNAMPTHSD11B1SCD
SCHEMBL13501691 0.84 HCRTR1 (0.53) SCD5SPRNAMPTHSD11B1SCD
SCHEMBL3552372 0.81 SCD5 (0.54) SCD5SPRNAMPTHSD11B1SCD
SCHEMBL13501694 0.81 NAMPT (0.60) SCD5SPRNAMPTHSD11B1RORC
SCHEMBL3549136 0.81 NAMPT (0.60) SCD5SPRNAMPTHSD11B1RORC
SCHEMBL13501693 0.81 NAMPT (0.60) SCD5SPRNAMPTHSD11B1RORC
SCHEMBL3544281 0.80 SPR (0.53) SCD5SPRNAMPTHSD11B1RORC

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 SCD5 1155/4885RBP4 430/4885SPR 256/4885

“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.