SCHEMBL3666820

SCHEMBL3666820

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
CCR5 P51681 1/20 0.40
MAP4K4 O95819 1/20 0.39
JAK1 P23458 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
IDH1 O75874 1/20 0.38
F10 P00742 1/20 0.38
ACACB O00763 4/20 0.38
OPRD1 P41143 1/20 0.36
OGA O60502 1/20 0.36
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3811671 0.89 CCR5 (0.48) JAK2CCR5MAP4K4MCHR1KDM4E
SCHEMBL3668424 0.88 JAK2 (0.51) JAK2MAP4K4JAK1MCHR1KDM4E
SCHEMBL3669976 0.86 JAK2 (0.45) JAK2MAP4K4JAK1MCHR1KDM4E
SCHEMBL3666603 0.85 KDM4E (0.42) JAK2MAP4K4JAK1MCHR1KDM4E
SCHEMBL3662351 0.83 AAK1 (0.46) MAP4K4MCHR1KDM4EABL1LMNA
SCHEMBL3666934 0.82 PIK3CD (0.42) JAK2MAP4K4MCHR1KDM4EABL1
SCHEMBL3669783 0.82 CCR5 (0.47) JAK2CCR5MAP4K4MCHR1KDM4E
SCHEMBL3664896 0.81 JAK3 (0.52) KDM4EABL1LMNAHRH3
SCHEMBL3663778 0.81 KDM4E (0.40) JAK2MAP4K4JAK1MCHR1KDM4E
SCHEMBL3666152 0.80 JAK3 (0.43) MAP4K4MCHR1KDM4EABL1LMNA

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 2606/4885CCR5 4480/4885MAP4K4 2328/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885MAP4K4 2328/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885MAP4K4 2328/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885MAP4K4 2328/4885

“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.