SCHEMBL3668762

SCHEMBL3668762

CN(C(=O)C(F)(F)F)C1CCN(c2cc[c]cn2)C(C(N)=O)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
CTSS P25774 2/20 0.32
JAK3 P52333 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
OPRD1 P41143 1/20 0.31
SYK P43405 1/20 0.30
FPR2 P25090 1/20 0.30
SCN9A Q15858 1/20 0.30
POLQ O75417 1/20 0.30

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
SCHEMBL3664892 0.87 JAK3 (0.44) USP30KDM4EABL1LMNAJAK3
SCHEMBL3662349 0.85 AAK1 (0.35) OPRD1
SCHEMBL3666600 0.85 JAK2 (0.34) JAK3OPRD1
SCHEMBL3811881 0.84 CCR5 (0.40) JAK3HRH4HRH3
SCHEMBL3668423 0.83 JAK2 (0.43) LMNAJAK3OPRD1
SCHEMBL3666932 0.82 POLB (0.34) KDM4EJAK3OPRD1
SCHEMBL3666149 0.82 PIK3CD (0.32) USP30JAK3
SCHEMBL3811668 0.82 CCR5 (0.40) JAK3
SCHEMBL3669972 0.82 JAK2 (0.38) LMNAJAK3
SCHEMBL3663776 0.82 JAK3 (0.33) JAK3

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 USP30 2677/4885KDM4E 2823/4885ABL1 1272/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885KDM4E 2823/4885ABL1 1272/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885KDM4E 2823/4885ABL1 1272/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT USP30 2677/4885KDM4E 2823/4885ABL1 1272/4885

“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.