SCHEMBL3636273

SCHEMBL3636273

Nc1ccc(C2CCN(C(=O)C3CCCO3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.61
ALDH1A1 P00352 3/20 0.51
FASN P49327 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3634776 0.86 NAMPT (0.58) NAMPTALDH1A1FASNKDM4EPKM
SCHEMBL8239271 0.82 ALDH1A1 (0.71) NAMPTALDH1A1FASNKDM4EPKM
SCHEMBL31222929 0.82 NAMPT (0.57) NAMPTALDH1A1FASNKDM4EPKM
SCHEMBL3810068 0.80 SLC18A3 (0.54) NAMPTALDH1A1FASNTSHR
SCHEMBL3634211 0.79 SLC18A3 (0.49) NAMPTALDH1A1
SCHEMBL3808286 0.77 NAMPT (0.61) NAMPT
SCHEMBL21880521 0.76 ALDH1A1 (0.53) NAMPTALDH1A1FASNKDM4EPKM
SCHEMBL3704848 0.76 NAMPT (1.00) NAMPT
SCHEMBL3698712 0.76 NAMPT (1.00) NAMPT
SCHEMBL3704988 0.76 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
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
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO 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 291/4885ALDH1A1 573/4885FASN 71/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885ALDH1A1 573/4885FASN 71/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885ALDH1A1 573/4885FASN 71/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NAMPT 291/4885ALDH1A1 573/4885FASN 71/4885

“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.