SCHEMBL2390103

SCHEMBL2390103

Nc1ccc(N2CCC(C(O)c3ccccc3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
RPS6KB1 P23443 4/20 0.41
DGAT1 O75907 1/20 0.41
OGA O60502 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
SCHEMBL13356302 0.84 STAT3 (0.50) STAT3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5131784 0.78 NPY2R (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25190336 0.77 OGA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2393500 0.76 DHFR (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL853768 0.75 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5459880 0.74 ALDH1A1 (0.48) STAT3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10621170 0.74 HTR2A (0.56) STAT3KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL20124827 0.74 HRH3 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3544514 0.73 LMNA (0.55) STAT3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.73 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
CN-102281919-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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 (2 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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT STAT3 1685/4885GRIN2D 2651/4885GRIN3B 2706/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT STAT3 2190/4885GRIN2D 3110/4885GRIN3B 3177/4885

“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.