SCHEMBL2490601

SCHEMBL2490601

COC(=O)c1ccccc1N1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 3/20 0.47
MYC P01106 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 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
SCHEMBL2494086 0.78 LMNA (0.61) KMT2ANPC1RAB9AMAPTL3MBTL1
SCHEMBL5742226 0.76 MYC (0.55) KMT2AMAPTMYCL3MBTL1ALDH1A1
SCHEMBL23708768 0.75 NPC1 (0.60) KMT2ANPC1RAB9AMYCL3MBTL1
SCHEMBL29232403 0.74 MYC (0.54) KMT2ANPC1MAPTMYCL3MBTL1
SCHEMBL3538626 0.73 RET (0.47) KMT2ANPC1RAB9AGRIN2DGRIN3B
SCHEMBL13273160 0.73 LMNA (0.57) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19998348 0.73 GRIN2D (0.59) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL29499599 0.73 GRIN2D (0.59) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL9203972 0.73 KMT2A (0.70) KMT2ANPC1RAB9AMAPTL3MBTL1
SCHEMBL10007908 0.72 P2RY12 (0.61) KMT2AMAPTL3MBTL1ALDH1A1HSD17B10

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 8 patents. 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 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
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP 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

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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 KMT2A 845/4885NPC1 1345/4885RAB9A 2547/4885

“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.