SCHEMBL2301869

SCHEMBL2301869

CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(C)c(-c4cccc(F)c4)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP30 Q70CQ3 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
ABL1 P00519 1/20 0.45
MAPK14 Q16539 2/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL3315908 0.91 DGAT1 (0.57) DGAT1USP30ADORA3RAF1MAPK14
SCHEMBL3309358 0.90 DGAT1 (0.55) DGAT1TDP1L3MBTL1RAF1BRAF
SCHEMBL2358142 0.90 ADORA3 (0.52) DGAT1USP30ADORA3ALDH1A1HPGD
SCHEMBL2302353 0.87 USP30 (0.51) DGAT1TDP1L3MBTL1USP30ADORA3
SCHEMBL3308614 0.86 USP30 (0.51) DGAT1USP30ADORA3RAF1MAPK14
SCHEMBL2302301 0.85 DGAT1 (0.57) DGAT1USP30ADORA3RET
SCHEMBL2302625 0.84 DGAT1 (0.55) DGAT1TDP1L3MBTL1USP30RAF1
SCHEMBL2302615 0.84 ADORA3 (0.52) DGAT1USP30ADORA3ALDH1A1HPGD
SCHEMBL2306069 0.83 DGAT1 (0.51) DGAT1L3MBTL1USP30ADORA3HPGD
SCHEMBL2304947 0.83 USP30 (0.56) DGAT1L3MBTL1USP30ALDH1A1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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 (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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 DGAT1 2/4885TDP1 3401/4885L3MBTL1 615/4885

“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.