SCHEMBL2303668

SCHEMBL2303668

COC(=O)C1CCN(c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)cn2)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.71
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MPL P40238 2/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 1/20 0.45
TRPV4 Q9HBA0 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL3312446 0.87 ADORA3 (0.68) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL3310706 0.86 ADORA3 (0.57) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL20417011 0.85 ADORA3 (0.78) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL2363191 0.85 ADORA3 (0.56) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL13328317 0.84 ADORA3 (0.61) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL2363710 0.84 ALDH1A1 (0.61) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL22349213 0.83 ADORA3 (1.00) ADORA3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2304901 0.83 ADORA3 (0.60) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL13328334 0.83 ADORA3 (0.59) ADORA3ALDH1A1LMNAPOLBKDM4E
SCHEMBL2300926 0.82 ADORA3 (0.59) ADORA3ALDH1A1LMNAPOLBKDM4E

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 ADORA3 1254/4885ALDH1A1 802/4885LMNA 4698/4885

“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.