SCHEMBL4576564

SCHEMBL4576564

CC(C)NNC(=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 1/20 0.47
P2RX7 Q99572 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
EPHX1 P07099 1/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NAAA Q02083 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL19090946 0.83 GAA (0.39) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL4576408 0.83 GAA (0.39) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL4576146 0.82 SMN1; SMN2 (0.39) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL12323193 0.81 HDAC8 (0.67) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL20988186 0.80 SMN1; SMN2 (0.46) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL28376355 0.79 HDAC8 (0.64) HDAC8HDAC6MAPTHTTSMN1; SMN2
SCHEMBL22618695 0.77 SMN1; SMN2 (0.36) HTTSMN1; SMN2HSD17B10ALDH1A1POLB
SCHEMBL24997802 0.77 SMN1; SMN2 (0.56) HDAC8HDAC6HTTSMN1; SMN2POLB
SCHEMBL18935499 0.77 SMN1; SMN2 (0.56) HDAC8HDAC6HTTSMN1; SMN2POLB
SCHEMBL24997854 0.77 SMN1; SMN2 (0.56) HDAC8HDAC6HTTSMN1; SMN2POLB

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 HDAC8 1322/4885HDAC6 617/4885MAPT 3748/4885

“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.