SCHEMBL3315908

SCHEMBL3315908

CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(C)c(-c4ccccc4)c3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.57
USP30 Q70CQ3 1/20 0.53
ADORA3 P0DMS8 1/20 0.50
PTPN11 Q06124 1/20 0.50
MAPK14 Q16539 6/20 0.49
KCNH2 Q12809 1/20 0.48
MCHR1 Q99705 1/20 0.48
HSPB1 P04792 2/20 0.47
RAF1 P04049 1/20 0.47
LYN P07948 1/20 0.47
P2RY12 Q9H244 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RET P07949 1/20 0.45

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
SCHEMBL2302301 0.93 DGAT1 (0.57) DGAT1USP30ADORA3PTPN11KCNH2
SCHEMBL2301869 0.91 DGAT1 (0.52) DGAT1USP30ADORA3MAPK14RAF1
SCHEMBL3308614 0.91 USP30 (0.51) DGAT1USP30ADORA3MAPK14MCHR1
SCHEMBL2358142 0.90 ADORA3 (0.52) DGAT1USP30ADORA3MAPK14MAPT
SCHEMBL2302353 0.89 USP30 (0.51) DGAT1USP30ADORA3PTPN11P2RY12
SCHEMBL3309358 0.89 DGAT1 (0.55) DGAT1RAF1
SCHEMBL2306069 0.89 DGAT1 (0.51) DGAT1USP30ADORA3PTPN11LMNA
SCHEMBL2304947 0.86 USP30 (0.56) DGAT1USP30PTPN11MCHR1P2RY12
SCHEMBL2303635 0.84 USP30 (0.51) DGAT1USP30ADORA3PTPN11MCHR1
SCHEMBL2304990 0.84 USP30 (0.56) DGAT1USP30PTPN11MCHR1P2RY12

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 9 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
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 2/4885USP30 2018/4885ADORA3 1254/4885

“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.