SCHEMBL2443973

SCHEMBL2443973

Nc1ccc(N2CCn3c(nnc3C(O)c3ccccc3)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.45
GRIN3B O60391 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
GRIN2C Q14957 3/20 0.45
GRIN3A Q8TCU5 3/20 0.45
HDAC1 Q13547 2/20 0.38
OGA O60502 1/20 0.35
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.33
SMO Q99835 1/20 0.33
ADRB2 P07550 1/20 0.33
KIT P10721 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR3 P29371 1/20 0.31
P2RX3 P56373 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2446631 0.70 P2RX7 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2390103 0.68 STAT3 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12300992 0.68 KDM4E (0.33) ALDH1A1KDM4ELMNATACR3
SCHEMBL2393697 0.67 DPP4 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.67 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29499599 0.67 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24493310 0.67 DPP4 (0.36) HDAC1SMOPRMT5
SCHEMBL2395006 0.66 KMT2A (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22495310 0.66 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29377667 0.66 KMT2A (0.57) 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
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP 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

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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GRIN2D 2651/4885GRIN3B 2706/4885GRIN1 1836/4885

“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.