SCHEMBL3665883

SCHEMBL3665883

CC(C)C(=O)N(C)C1CCN(c2ccc(N)cn2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.53
MAP4K4 O95819 2/20 0.47
CHRM4 P08173 1/20 0.42
MCHR1 Q99705 8/20 0.40
JAK3 P52333 1/20 0.40
ATM Q13315 2/20 0.40
ATR Q13535 2/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
JAK1 P23458 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL3662351 0.93 AAK1 (0.46) AAK1MAP4K4MCHR1JAK3ATM
SCHEMBL2789586 0.87 MAP4K4 (0.61) MAP4K4CHRM4MCHR1
SCHEMBL1750255 0.87 MAP4K4 (0.50) AAK1MAP4K4CHRM4MCHR1
SCHEMBL528447 0.87 MAP4K4 (0.50) AAK1MAP4K4CHRM4MCHR1
SCHEMBL595852 0.87 MAP4K4 (0.61) MAP4K4CHRM4MCHR1
SCHEMBL1750039 0.81 MAP4K4 (0.56) MAP4K4MCHR1HRH3
SCHEMBL22165062 0.81 MAP4K4 (0.56) MAP4K4MCHR1HRH3
SCHEMBL529447 0.81 MAP4K4 (0.56) MAP4K4MCHR1HRH3
SCHEMBL2236554 0.81 AAK1 (0.54) AAK1MAP4K4CHRM4JAK3JAK1
SCHEMBL12265185 0.81 AAK1 (0.54) AAK1MAP4K4CHRM4JAK3JAK1

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 AAK1 813/4885MAP4K4 2328/4885CHRM4 4772/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885MAP4K4 2328/4885CHRM4 4772/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885MAP4K4 2328/4885CHRM4 4772/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT AAK1 813/4885MAP4K4 2328/4885CHRM4 4772/4885

“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.