SCHEMBL3816677

SCHEMBL3816677

Nc1ccc(C2CCN(C(=O)C3CC=CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
NAMPT P43490 8/20 0.42
BACE1 P56817 1/20 0.41
HTR2B P41595 1/20 0.40
DGAT1 O75907 3/20 0.40
QDPR P09417 2/20 0.39
MGLL Q99685 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL3634211 0.89 SLC18A3 (0.49) SLC18A3NAMPTBACE1HTR2BDGAT1
SCHEMBL3810068 0.86 SLC18A3 (0.54) SLC18A3NAMPTHTR2BDGAT1
SCHEMBL3631718 0.85 PARP10 (0.52) NAMPTBACE1CA12CA1CA2
SCHEMBL3809829 0.84 SLC18A3 (0.51) SLC18A3NAMPTBACE1HTR2BDGAT1
SCHEMBL520567 0.82 NAMPT (0.55) SLC18A3NAMPTQDPR
SCHEMBL3303482 0.81 DGAT1 (0.48) SLC18A3NAMPTHTR2BDGAT1
SCHEMBL3808286 0.80 NAMPT (0.61) NAMPTDGAT1
SCHEMBL3304712 0.80 HPGD (0.55) SLC18A3HTR2B
SCHEMBL265000 0.79 SLC18A3 (0.51) SLC18A3NAMPTBACE1QDPRMGLL
SCHEMBL3080099 0.78 QDPR (0.62) SLC18A3DGAT1QDPR

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 SLC18A3 3271/4885NAMPT 291/4885BACE1 4096/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885NAMPT 291/4885BACE1 4096/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885NAMPT 291/4885BACE1 4096/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885NAMPT 291/4885BACE1 4096/4885

“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.