SCHEMBL3663778

SCHEMBL3663778

CN(C(=O)CC1CCCC1)C1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
JAK2 O60674 2/20 0.38
DGAT1 O75907 4/20 0.38
PIK3CA P42336 3/20 0.38
MTOR P42345 2/20 0.38
MAP4K4 O95819 2/20 0.37
DEGS1 O15121 1/20 0.37
KCNH2 Q12809 2/20 0.37
OPRD1 P41143 1/20 0.37
JAK3 P52333 3/20 0.37
JAK1 P23458 1/20 0.37
BACE1 P56817 1/20 0.36
HSD11B1 P28845 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
SCHEMBL3666603 0.86 KDM4E (0.42) KDM4EMCHR1ABL1LMNAJAK2
SCHEMBL3668424 0.84 JAK2 (0.51) KDM4EMCHR1ABL1LMNAJAK2
SCHEMBL3666934 0.83 PIK3CD (0.42) KDM4EALDH1A1HSD17B10MCHR1ABL1
SCHEMBL3669783 0.83 CCR5 (0.47) KDM4EALDH1A1MCHR1ABL1LMNA
SCHEMBL3811671 0.83 CCR5 (0.48) KDM4EMCHR1ABL1LMNAJAK2
SCHEMBL3669976 0.82 JAK2 (0.45) KDM4EMCHR1ABL1LMNAJAK2
SCHEMBL3664896 0.82 JAK3 (0.52) KDM4EALDH1A1ABL1LMNADGAT1
SCHEMBL3666820 0.81 JAK2 (0.42) KDM4EMCHR1ABL1LMNAJAK2
SCHEMBL3669359 0.80 KDM4E (0.45) KDM4EALDH1A1MCHR1ABL1LMNA
SCHEMBL3662351 0.79 AAK1 (0.46) KDM4EMCHR1ABL1LMNAMAP4K4

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 KDM4E 2823/4885ALDH1A1 573/4885HSD17B10 162/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885ALDH1A1 573/4885HSD17B10 162/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885ALDH1A1 573/4885HSD17B10 162/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885ALDH1A1 573/4885HSD17B10 162/4885

“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.