Sugi Predict

Sugi Predict / Compounds / SCHEMBL3669976

SCHEMBL3669976

SCHEMBL3669976

CCCCC(=O)N(C)C1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.45
▸ TLR7 Q9NYK1 2/20 0.42
▸ BACE1 P56817 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ ME2 P23368 1/20 0.37
▸ ME1 P48163 1/20 0.37
▸ ME3 Q16798 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL3668424 0.93 JAK2 (0.51) JAK2TLR7BACE1LMNAKDM4E
SCHEMBL3666603 0.89 KDM4E (0.42) JAK2TLR7LMNAKDM4EABL1
SCHEMBL3666820 0.86 JAK2 (0.42) JAK2BACE1LMNAKDM4EABL1
SCHEMBL3666955 0.84 CHRM4 (0.45) JAK2TLR7LMNAKDM4EABL1
SCHEMBL3666934 0.83 PIK3CD (0.42) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3669783 0.83 CCR5 (0.47) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3811671 0.83 CCR5 (0.48) JAK2LMNAKDM4EABL1MAP4K4
SCHEMBL3663778 0.82 KDM4E (0.40) JAK2BACE1LMNAKDM4EABL1
SCHEMBL3664896 0.82 JAK3 (0.52) LMNAKDM4EABL1HPGDSMN1; SMN2
SCHEMBL3669359 0.80 KDM4E (0.45) LMNAKDM4EABL1MAP4K4MCHR1

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 2606/4885TLR7 4507/4885BACE1 4096/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885TLR7 4507/4885BACE1 4096/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885TLR7 4507/4885BACE1 4096/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK2 2606/4885TLR7 4507/4885BACE1 4096/4885

“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.