SCHEMBL3666934

SCHEMBL3666934

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MAP4K4 O95819 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MCHR1 Q99705 1/20 0.38
OPRD1 P41143 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RET P07949 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL3666603 0.87 KDM4E (0.42) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3668424 0.85 JAK2 (0.51) KDM4EABL1LMNAL3MBTL1MAP4K4
SCHEMBL3811671 0.84 CCR5 (0.48) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3669783 0.84 CCR5 (0.47) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3669976 0.83 JAK2 (0.45) KDM4EABL1LMNAL3MBTL1MAP4K4
SCHEMBL3664896 0.83 JAK3 (0.52) KDM4EABL1LMNAHRH3SMN1; SMN2
SCHEMBL3663778 0.83 KDM4E (0.40) PIK3CAKDM4EABL1LMNAMAP4K4
SCHEMBL3666820 0.82 JAK2 (0.42) KDM4EABL1LMNAHRH3MAP4K4
SCHEMBL3668304 0.81 HSD17B10 (0.57) POLBKDM4EL3MBTL1HRH3SMN1; SMN2
SCHEMBL3669359 0.81 KDM4E (0.45) POLBKDM4EABL1LMNAL3MBTL1

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 PIK3CD 490/4885PIK3CA 443/4885PIK3CB 381/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PIK3CD 490/4885PIK3CA 443/4885PIK3CB 381/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PIK3CD 490/4885PIK3CA 443/4885PIK3CB 381/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PIK3CD 490/4885PIK3CA 443/4885PIK3CB 381/4885

“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.