SCHEMBL3545920

SCHEMBL3545920

Cc1noc(-c2ccccc2)c1C(=O)N1CCCC1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.53
DAGLB Q8NCG7 4/20 0.50
NAMPT P43490 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCD O00767 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DAGLA Q9Y4D2 7/20 0.43
ABHD6 Q9BV23 3/20 0.43
ROCK2 O75116 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3547411 0.85 L3MBTL1 (0.67) SCD5DAGLBNAMPTLMNAL3MBTL1
SCHEMBL3548222 0.79 NAMPT (0.51) SCD5DAGLBNAMPTLMNASCD
SCHEMBL3546775 0.78 NAMPT (0.50) SCD5DAGLBNAMPTHCRTR1HCRTR2
SCHEMBL4283740 0.77 CA1 (0.51) SCD5LMNAL3MBTL1SMN1; SMN2HCRTR1
SCHEMBL4283737 0.77 CA1 (0.51) SCD5LMNAL3MBTL1SMN1; SMN2HCRTR1
SCHEMBL6988342 0.71 NAMPT (0.58) SCD5DAGLBNAMPTHCRTR1HCRTR2
SCHEMBL3549466 0.71 SCD5 (0.54) SCD5DAGLBDAGLAABHD6ROCK2
SCHEMBL21536542 0.70 SCD5 (1.00) SCD5LMNASCDSMN1; SMN2POLB
SCHEMBL13501862 0.69 HTR2C (0.48) NAMPTLMNASMN1; SMN2ROCK2CHRNA7
SCHEMBL3546669 0.68 SCD5 (0.60) SCD5SCDSMN1; SMN2KDM4EPOLB

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 7 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
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

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 1155/4885DAGLB 3064/4885NAMPT 1170/4885

“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.