SCHEMBL3664892

SCHEMBL3664892

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.44
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
CCR5 P51681 1/20 0.32
JAK2 O60674 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
JAK1 P23458 1/20 0.31
KCNH2 Q12809 3/20 0.31
GPR119 Q8TDV5 2/20 0.31
USP30 Q70CQ3 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
SCHEMBL3811881 0.91 CCR5 (0.40) JAK3CCR5JAK2JAK1
SCHEMBL3666600 0.88 JAK2 (0.34) JAK3JAK2JAK1
SCHEMBL3668762 0.87 USP30 (0.34) JAK3KDM4EABL1LMNACNR1
SCHEMBL3668423 0.87 JAK2 (0.43) JAK3LMNAJAK2JAK1
SCHEMBL3811668 0.86 CCR5 (0.40) JAK3CCR5JAK2JAK1
SCHEMBL3666932 0.86 POLB (0.34) JAK3KDM4EJAK2JAK1KCNH2
SCHEMBL3663776 0.85 JAK3 (0.33) JAK3JAK2JAK1
SCHEMBL3669972 0.85 JAK2 (0.38) JAK3LMNAJAK2JAK1
SCHEMBL3666818 0.84 JAK2 (0.35) JAK3LMNACCR5JAK2JAK1
SCHEMBL3662349 0.82 AAK1 (0.35) CCR5

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 4303/4885KDM4E 2823/4885ABL1 1272/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885KDM4E 2823/4885ABL1 1272/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885KDM4E 2823/4885ABL1 1272/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885KDM4E 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.