SCHEMBL3665634

SCHEMBL3665634

CNC1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
HRH4 Q9H3N8 12/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
OGA O60502 1/20 0.41
MAPT P10636 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL2636592 0.91 HRH4 (0.55) HRH4KCNH2MCHR1HRH3
Trifluoroacetic Acid SCHEMBL3810255 0.87 HRH3 (0.48) PTPN11HRH4KCNH2MCHR1MAPT
SCHEMBL12832973 0.83 MAPT (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30336242 0.83 MAPT (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21564446 0.83 GRIN2D (0.46) PTPN11HRH4GRIN2DGRIN3BGRIN1
SCHEMBL14018444 0.83 GPR119 (0.52) PTPN11HRH4KCNH2MCHR1HRH3
SCHEMBL20124827 0.81 HRH3 (0.54) PTPN11HRH4GRIN2DGRIN3BGRIN1
SCHEMBL13356178 0.81 GRIN2D (0.45) PTPN11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.80 GRIN2D (0.59) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.80 GRIN2D (0.59) HRH4GRIN2DGRIN3BGRIN1GRIN2A

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 PTPN11 2201/4885HRH4 3683/4885GRIN2D 4227/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PTPN11 2201/4885HRH4 3683/4885GRIN2D 4227/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PTPN11 2201/4885HRH4 3683/4885GRIN2D 4227/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PTPN11 2201/4885HRH4 3683/4885GRIN2D 4227/4885

“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.