SCHEMBL4576146

SCHEMBL4576146

CC(C)NNC(=O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
BRPF1 P55201 1/20 0.37
PIK3CD O00329 2/20 0.37
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
HTT P42858 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4576564 0.82 HDAC8 (0.52) SMN1; SMN2ALDH1A1POLBGAAHSD17B10
SCHEMBL12448285 0.80 SMN1; SMN2 (0.51) SMN1; SMN2POLBGAABRPF1PIK3CD
SCHEMBL4576408 0.78 GAA (0.39) SMN1; SMN2ALDH1A1POLBGAAHSD17B10
SCHEMBL19090946 0.78 GAA (0.39) SMN1; SMN2ALDH1A1POLBGAAHSD17B10
SCHEMBL18714404 0.74 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1GAAHSD17B10LMNA
SCHEMBL24568222 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBGAABRPF1
SCHEMBL23540869 0.73 KMT2A (0.37) SMN1; SMN2BRPF1PIK3CDKMT2ALMNA
SCHEMBL24571405 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1POLBGAABRPF1
SCHEMBL22618695 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1POLBGAAHSD17B10
SCHEMBL9442 0.73 CHRNB2 (0.42) SMN1; SMN2ALDH1A1BRPF1PIK3CDHDAC3

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
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 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 (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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT SMN1; SMN2 3976/4885ALDH1A1 532/4885POLB 3699/4885

“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.