SCHEMBL3808286

SCHEMBL3808286

Nc1ccc(C2CCN(C(=O)C3CCOC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.61
DGAT1 O75907 1/20 0.48
EPHX2 P34913 6/20 0.47
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47

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
SCHEMBL3635174 0.87 NAMPT (0.59) NAMPTDGAT1EPHX2TLR9TLR8
SCHEMBL3634211 0.84 SLC18A3 (0.49) NAMPTDGAT1
SCHEMBL17130441 0.83 NAMPT (0.58) NAMPTDGAT1EPHX2TLR9TLR8
SCHEMBL3810068 0.81 SLC18A3 (0.54) NAMPTDGAT1
SCHEMBL3816677 0.80 SLC18A3 (0.46) NAMPTDGAT1
SCHEMBL4672899 0.79 NAMPT (0.61) NAMPTDGAT1EPHX2TLR9TLR8
SCHEMBL3809829 0.79 SLC18A3 (0.51) NAMPTDGAT1
SCHEMBL16994778 0.78 NAMPT (0.60) NAMPTDGAT1TLR9TLR8TLR7
SCHEMBL520567 0.78 NAMPT (0.55) NAMPTTLR9TLR8TLR7
SCHEMBL3700011 0.77 NAMPT (1.00) NAMPT

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-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885DGAT1 2/4885EPHX2 735/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885DGAT1 2/4885EPHX2 735/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885DGAT1 2/4885EPHX2 735/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885DGAT1 2/4885EPHX2 735/4885

“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.