SCHEMBL3668424

SCHEMBL3668424

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
JAK1 P23458 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP3A4 P08684 1/20 0.39
F10 P00742 2/20 0.39
MAP4K4 O95819 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 2/20 0.38
OPRD1 P41143 1/20 0.38
JAK3 P52333 3/20 0.38
BACE1 P56817 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SHMT2 P34897 1/20 0.37
NPY5R Q15761 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3669976 0.93 JAK2 (0.45) JAK2LMNAKDM4EABL1JAK1
SCHEMBL3666603 0.91 KDM4E (0.42) JAK2LMNAKDM4EABL1JAK1
SCHEMBL3666820 0.88 JAK2 (0.42) JAK2LMNAKDM4EABL1JAK1
SCHEMBL3811671 0.85 CCR5 (0.48) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3669783 0.85 CCR5 (0.47) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3666934 0.85 PIK3CD (0.42) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3664896 0.84 JAK3 (0.52) LMNAKDM4EABL1CYP3A4HPGD
SCHEMBL3663778 0.84 KDM4E (0.40) JAK2LMNAKDM4EABL1JAK1
SCHEMBL3669359 0.82 KDM4E (0.45) LMNAKDM4EABL1MAP4K4MCHR1
SCHEMBL3666955 0.81 CHRM4 (0.45) JAK2LMNAKDM4EABL1TLR7

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 JAK2 2606/4885LMNA 4364/4885KDM4E 2823/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885LMNA 4364/4885KDM4E 2823/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885LMNA 4364/4885KDM4E 2823/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885LMNA 4364/4885KDM4E 2823/4885

“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.