SCHEMBL3667948

SCHEMBL3667948

CN(C(=O)C(F)(F)F)C1CCN(c2ncc(N)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.37
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.35
PTPN11 Q06124 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP2C19 P33261 1/20 0.35
WDR5 P61964 3/20 0.35
MAP4K4 O95819 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3668764 0.84 KDM4E (0.49) KDM4EABL1LMNACYP3A4PDK2
SCHEMBL7299663 0.79 NPY5R (0.46) KDM4ELMNA
SCHEMBL30731299 0.76 ACACB (0.43) KDM4EABL1LMNACYP3A4MAP4K4
SCHEMBL19652119 0.76 AAK1 (0.42) AOC3KDM4EPDK2CYP2C19HDAC6
SCHEMBL3667945 0.76 CYP2C9 (0.33) JAK3KDM4EABL1LMNAUSP30
SCHEMBL19652135 0.75 AAK1 (0.39) JAK3
SCHEMBL2636420 0.74 NOTUM (0.44) JAK3USP30MAP4K4
SCHEMBL2173915 0.73 AAK1 (0.48) AOC3JAK3USP30MAP4K4HDAC6
SCHEMBL2302835 0.73 AAK1 (0.48) AOC3JAK3USP30MAP4K4HDAC6
SCHEMBL19658660 0.73 RIPK1 (0.44) CYP3A4MAP4K4

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 AOC3 2072/4885JAK3 4303/4885KDM4E 2823/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AOC3 2072/4885JAK3 4303/4885KDM4E 2823/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AOC3 2072/4885JAK3 4303/4885KDM4E 2823/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AOC3 2072/4885JAK3 4303/4885KDM4E 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.