SCHEMBL2397410

SCHEMBL2397410

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
MLYCD O95822 1/20 0.45
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
RET P07949 1/20 0.44
SCD O00767 1/20 0.44
SMO Q99835 1/20 0.44
OPRD1 P41143 5/20 0.43
OPRL1 P41146 7/20 0.43
OPRM1 P35372 4/20 0.43
OPRK1 P41145 4/20 0.43
RPS6KB1 P23443 1/20 0.42
UBE2T Q9NPD8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2514801 0.81 MAPT (0.61) OPRD1OPRL1OPRM1OPRK1POLB
SCHEMBL3309582 0.81 SMO (0.49) MLYCDRETSCDSMOUBE2T
SCHEMBL16245814 0.80 MLYCD (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15651184 0.79 GRIN2D (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2395991 0.78 MEN1 (0.64) POLBMAPT
SCHEMBL16334403 0.76 PIK3CA (0.46) MLYCDPIK3CAMTOROPRD1OPRL1
SCHEMBL19998348 0.76 GRIN2D (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29499599 0.76 GRIN2D (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2395006 0.75 KMT2A (0.57) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29377667 0.75 KMT2A (0.57) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO claimed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US claimed
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
CN-102282132-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
CN-102281919-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP disclosed
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 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
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 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
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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 GRIN2B 3840/4885GRIN2D 4342/4885GRIN3B 4266/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GRIN2B 3024/4885GRIN2D 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.