SCHEMBL3548222

SCHEMBL3548222

O=C(c1ncoc1-c1ccccc1)N1CCCC1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
SCD5 Q86SK9 2/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
DAGLB Q8NCG7 1/20 0.47
HCRTR2 O43614 8/20 0.44
HCRTR1 O43613 7/20 0.44
GSK3B P49841 1/20 0.43
VNN1 O95497 2/20 0.42
CYP3A4 P08684 1/20 0.41
SCD O00767 1/20 0.41
ROCK2 O75116 1/20 0.41
ADORA2A P29274 1/20 0.40
ACE P12821 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
SCHEMBL3545920 0.79 SCD5 (0.53) NAMPTSCD5KDM4ELMNAPOLB
SCHEMBL6988342 0.79 NAMPT (0.58) NAMPTSCD5KDM4EPOLBDAGLB
SCHEMBL4278308 0.76 CA1 (0.53) SCD5KDM4EHCRTR2HCRTR1CYP3A4
SCHEMBL14359633 0.76 HCRTR1 (0.52) KDM4ELMNAHCRTR2HCRTR1ADORA2A
SCHEMBL3547411 0.76 L3MBTL1 (0.67) NAMPTSCD5KDM4ELMNAPOLB
SCHEMBL3546775 0.74 NAMPT (0.50) NAMPTSCD5DAGLBHCRTR2HCRTR1
SCHEMBL6989539 0.69 SCD5 (0.55) NAMPTSCD5HCRTR2HCRTR1CYP3A4
SCHEMBL17195778 0.68 NAMPT (1.00) NAMPTHCRTR2HCRTR1
SCHEMBL21536542 0.67 SCD5 (1.00) SCD5LMNAPOLBSCD
SCHEMBL14149055 0.67 ADORA2A (0.44) SCD5KDM4EHCRTR2HCRTR1SCD

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 6 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
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 NAMPT 1170/4885SCD5 1155/4885KDM4E 702/4885

“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.