SCHEMBL6988342

SCHEMBL6988342

O=C(c1nc2ccccc2nc1O)N1CCCC1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
FABP4 P15090 1/20 0.46
SCD5 Q86SK9 1/20 0.44
DAGLB Q8NCG7 1/20 0.44
HCRTR1 O43613 6/20 0.44
HCRTR2 O43614 6/20 0.44
CYP3A4 P08684 2/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
VNN1 O95497 3/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
ADORA2B P29275 1/20 0.42
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL6989539 0.89 SCD5 (0.55) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL6989978 0.85 SCD5 (0.51) FABP4SCD5DAGLBHCRTR1HCRTR2
SCHEMBL6989556 0.83 HCRTR1 (0.48) FABP4SCD5HCRTR1HCRTR2CYP3A4
SCHEMBL6989529 0.83 NAMPT (0.50) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL3693099 0.82 FABP4 (0.59) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL6988101 0.82 FABP4 (0.50) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL3693103 0.82 FABP4 (0.59) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL3693140 0.82 FABP4 (0.59) NAMPTFABP4SCD5HCRTR1HCRTR2
SCHEMBL6987127 0.82 SCD5 (0.46) FABP4SCD5
SCHEMBL3700088 0.82 FABP4 (0.67) NAMPTFABP4SCD5HCRTR1HCRTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 NAMPT 690/4885FABP4 1/4885SCD5 40/4885

“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.