SCHEMBL3312446

SCHEMBL3312446

CCOC(=O)C1CCN(c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.68
USP30 Q70CQ3 1/20 0.53
DGAT1 O75907 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.51
PTPN11 Q06124 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MPL P40238 1/20 0.46

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
SCHEMBL2303668 0.87 ADORA3 (0.71) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2303642 0.87 ADORA3 (0.55) ADORA3USP30DGAT1ALDH1A1CYP1A2
SCHEMBL13328317 0.85 ADORA3 (0.61) ADORA3ALDH1A1KDM4ELMNAPOLB
SCHEMBL2357175 0.85 ADORA3 (0.53) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2363710 0.85 ALDH1A1 (0.61) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13328334 0.84 ADORA3 (0.59) ADORA3ALDH1A1KDM4ELMNAPOLB
SCHEMBL2305241 0.84 ADORA3 (0.52) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3309522 0.83 ALDH1A1 (0.59) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20417011 0.83 ADORA3 (0.78) ADORA3ALDH1A1KDM4ELMNAPOLB
SCHEMBL2304901 0.83 ADORA3 (0.60) ADORA3ALDH1A1CYP1A2CYP2C9CYP2C19

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 claimed
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
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 ADORA3 1254/4885USP30 2018/4885DGAT1 2/4885

“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.