SCHEMBL3666818

SCHEMBL3666818

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
CCR5 P51681 2/20 0.33
JAK3 P52333 3/20 0.33
JAK1 P23458 2/20 0.33
AGTR2 P50052 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3811668 0.91 CCR5 (0.40) JAK2CCR5JAK3JAK1
SCHEMBL3668423 0.90 JAK2 (0.43) JAK2JAK3JAK1LMNAL3MBTL1
SCHEMBL3669972 0.88 JAK2 (0.38) JAK2JAK3JAK1LMNAL3MBTL1
SCHEMBL3666600 0.88 JAK2 (0.34) JAK2JAK3JAK1
SCHEMBL3662349 0.85 AAK1 (0.35) CCR5
SCHEMBL3666932 0.85 POLB (0.34) JAK2JAK3JAK1L3MBTL1
SCHEMBL3811881 0.85 CCR5 (0.40) JAK2CCR5JAK3JAK1
SCHEMBL3663776 0.84 JAK3 (0.33) JAK2JAK3JAK1
SCHEMBL3664892 0.84 JAK3 (0.44) JAK2CCR5JAK3JAK1LMNA
SCHEMBL3666149 0.83 PIK3CD (0.32) JAK3JAK1

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 JAK2 2606/4885CCR5 4480/4885JAK3 4303/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885JAK3 4303/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885JAK3 4303/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885CCR5 4480/4885JAK3 4303/4885

“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.