SCHEMBL3662351

SCHEMBL3662351

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
OGA O60502 1/20 0.42
HRH3 Q9Y5N1 9/20 0.41
MAP4K4 O95819 1/20 0.40
MCHR1 Q99705 1/20 0.39
OPRD1 P41143 1/20 0.39
JAK3 P52333 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL3665883 0.93 AAK1 (0.53) AAK1HRH3MAP4K4MCHR1JAK3
SCHEMBL3666152 0.85 JAK3 (0.43) KDM4EABL1LMNAOGAHRH3
SCHEMBL3811671 0.85 CCR5 (0.48) KDM4EABL1LMNAOGAHRH3
SCHEMBL3669359 0.84 KDM4E (0.45) KDM4EABL1LMNAMAP4K4MCHR1
SCHEMBL3666603 0.83 KDM4E (0.42) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3666820 0.83 JAK2 (0.42) KDM4EABL1LMNAOGAHRH3
SCHEMBL3668764 0.82 KDM4E (0.49) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3668424 0.81 JAK2 (0.51) KDM4EABL1LMNAMAP4K4MCHR1
SCHEMBL3440049 0.80 MAP4K4 (0.46) KDM4EABL1LMNAOGAMAP4K4
SCHEMBL595584 0.80 AAK1 (0.47) AAK1KDM4EABL1LMNAMAP4K4

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 AAK1 813/4885KDM4E 2823/4885ABL1 1272/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885KDM4E 2823/4885ABL1 1272/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885KDM4E 2823/4885ABL1 1272/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885KDM4E 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.