SCHEMBL3667945

SCHEMBL3667945

CN(C(=O)C(F)(F)F)C1CCN(c2nc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 1/20 0.33
SYK P43405 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
JAK3 P52333 2/20 0.32
SCD O00767 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
ABL1 P00519 1/20 0.32
CAMK1D Q8IU85 4/20 0.31
RBP4 P02753 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3635734 0.76 IKBKB (0.39) HRH4HRH3KDM4EHSD17B10
SCHEMBL3667948 0.76 AOC3 (0.37) JAK3KDM4ELMNAABL1MAP4K4
SCHEMBL4965908 0.74 ALDH1A1 (0.41) CYP2C9KDM4ECAMK1DMEN1TSHR
SCHEMBL4967807 0.73 LCK (0.38) CYP2C9SYKJAK3ABL1CAMK1D
SCHEMBL4967728 0.73 LCK (0.38) CYP2C9SYKJAK3ABL1CAMK1D
SCHEMBL4969126 0.73 LCK (0.38) CYP2C9SYKJAK3ABL1CAMK1D
SCHEMBL3668288 0.71 ALDH1A1 (0.40) SYKHRH3KDM4EUSP2TSHR
SCHEMBL2794719 0.71 KDM4E (0.53) KDM4ELMNATSHRHTTKMT2A
SCHEMBL3318389 0.70 PTPN11 (0.44) HRH3KDM4E
SCHEMBL3317526 0.70 PTPN11 (0.44) SYKKDM4ELMNATSHRSMN1; SMN2

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 CYP2C9 1204/4885EPHX2 735/4885SYK 4010/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CYP2C9 1204/4885EPHX2 735/4885SYK 4010/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CYP2C9 1204/4885EPHX2 735/4885SYK 4010/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT CYP2C9 1204/4885EPHX2 735/4885SYK 4010/4885

“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.