SCHEMBL2395561

SCHEMBL2395561

CN1CCC2(CCN(c3ccc(N)cn3)CC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
MTOR P42345 2/20 0.47
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CRBN Q96SW2 7/20 0.40
LRRK2 Q5S007 2/20 0.39
OGA O60502 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
DDB1 Q16531 1/20 0.37
SOS1 Q07889 1/20 0.35
UBE2T Q9NPD8 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL2443177 0.77 KCNH2 (0.48) PIK3CAMTORCRBNLRRK2
SCHEMBL21508841 0.77 CRBN (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2393288 0.76 HCRTR2 (0.59) HCRTR1HCRTR2
SCHEMBL15651184 0.75 GRIN2D (0.47) PIK3CAMTORGRIN2DGRIN3BGRIN1
SCHEMBL19998348 0.75 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29499599 0.75 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1982799 0.74 GRIN2D (0.49) PIK3CAMTORGRIN2DGRIN3BGRIN1
SCHEMBL29739369 0.74 GRIN2D (0.49) PIK3CAMTORGRIN2DGRIN3BGRIN1
SCHEMBL55623 0.74 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29537043 0.74 GRIN2D (0.55) 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 5 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
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
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 (1 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-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PIK3CA 579/4885MTOR 502/4885GRIN2D 3110/4885

“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.