SCHEMBL3666152

SCHEMBL3666152

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.43
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 4/20 0.39
NPY5R Q15761 3/20 0.38
CHRM4 P08173 1/20 0.38
MAP4K4 O95819 1/20 0.38
OPRD1 P41143 1/20 0.38
OGA O60502 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL3662351 0.85 AAK1 (0.46) JAK3MCHR1HRH3KDM4EABL1
SCHEMBL3811671 0.82 CCR5 (0.48) JAK3MCHR1HRH3KDM4EABL1
SCHEMBL3669359 0.81 KDM4E (0.45) MCHR1KDM4EABL1LMNAMAP4K4
SCHEMBL3666955 0.81 CHRM4 (0.45) MCHR1HRH3KDM4EABL1LMNA
SCHEMBL3666603 0.80 KDM4E (0.42) JAK3MCHR1HRH3KDM4EABL1
SCHEMBL3666820 0.80 JAK2 (0.42) MCHR1HRH3KDM4EABL1LMNA
SCHEMBL3668764 0.79 KDM4E (0.49) MCHR1HRH3KDM4EABL1LMNA
SCHEMBL3663778 0.79 KDM4E (0.40) JAK3MCHR1KDM4EABL1LMNA
SCHEMBL3665883 0.78 AAK1 (0.53) JAK3MCHR1HRH3ACACBCHRM4
SCHEMBL3668424 0.78 JAK2 (0.51) JAK3MCHR1KDM4EABL1LMNA

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 JAK3 4303/4885MCHR1 4616/4885HRH3 4353/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885MCHR1 4616/4885HRH3 4353/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885MCHR1 4616/4885HRH3 4353/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885MCHR1 4616/4885HRH3 4353/4885

“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.