SCHEMBL3666932

SCHEMBL3666932

COCC(=O)N(C)C1CCN(c2cc[c]cn2)C(C(N)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ENPP2 Q13822 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
JAK3 P52333 3/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MCHR1 Q99705 1/20 0.30
OPRD1 P41143 1/20 0.30
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3666600 0.89 JAK2 (0.34) JAK3JAK2JAK1OPRD1
SCHEMBL3668423 0.87 JAK2 (0.43) JAK3JAK2JAK1L3MBTL1OPRD1
SCHEMBL3811668 0.86 CCR5 (0.40) JAK3JAK2JAK1
SCHEMBL3811881 0.86 CCR5 (0.40) JAK3JAK2JAK1
SCHEMBL3664892 0.86 JAK3 (0.44) JAK3JAK2JAK1KCNH2KDM4E
SCHEMBL3663776 0.86 JAK3 (0.33) JAK3JAK2JAK1
SCHEMBL3669972 0.86 JAK2 (0.38) JAK3JAK2JAK1L3MBTL1MCHR1
SCHEMBL3666818 0.85 JAK2 (0.35) JAK3JAK2JAK1L3MBTL1
SCHEMBL3662349 0.83 AAK1 (0.35) OPRD1
SCHEMBL3668762 0.82 USP30 (0.34) JAK3OPRD1KDM4E

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
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT POLB 3563/4885ENPP2 235/4885PIK3CD 490/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT POLB 3563/4885ENPP2 235/4885PIK3CD 490/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT POLB 3563/4885ENPP2 235/4885PIK3CD 490/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT POLB 3563/4885ENPP2 235/4885PIK3CD 490/4885

“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.