SCHEMBL3669783

SCHEMBL3669783

CN(C(=O)CC(C)(C)C)C1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
JAK3 P52333 1/20 0.41
DGAT1 O75907 2/20 0.39
MAP4K4 O95819 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
OPRD1 P41143 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
AURKB Q96GD4 1/20 0.37
HSD11B1 P28845 1/20 0.37
PDK2 Q15119 1/20 0.37
CHRM4 P08173 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3664896 0.90 JAK3 (0.52) KDM4EABL1LMNAJAK3DGAT1
SCHEMBL3666603 0.87 KDM4E (0.42) KDM4EABL1LMNAJAK3MAP4K4
SCHEMBL3668424 0.85 JAK2 (0.51) KDM4EABL1LMNAJAK3MAP4K4
SCHEMBL3811671 0.84 CCR5 (0.48) CCR5KDM4EABL1LMNAJAK3
SCHEMBL3666934 0.84 PIK3CD (0.42) KDM4EABL1LMNAMAP4K4HPGD
SCHEMBL3669976 0.83 JAK2 (0.45) KDM4EABL1LMNAMAP4K4HPGD
SCHEMBL3663778 0.83 KDM4E (0.40) KDM4EABL1LMNAJAK3DGAT1
SCHEMBL3666820 0.82 JAK2 (0.42) CCR5KDM4EABL1LMNAMAP4K4
SCHEMBL595584 0.82 AAK1 (0.47) KDM4EABL1LMNAJAK3DGAT1
SCHEMBL3668764 0.81 KDM4E (0.49) KDM4EABL1LMNADGAT1MAP4K4

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 CCR5 4480/4885KDM4E 2823/4885ABL1 1272/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CCR5 4480/4885KDM4E 2823/4885ABL1 1272/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CCR5 4480/4885KDM4E 2823/4885ABL1 1272/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CCR5 4480/4885KDM4E 2823/4885ABL1 1272/4885

“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.