SCHEMBL1101802

SCHEMBL1101802

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Nc2ccc(N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
NAMPT P43490 1/20 0.46
DRD2 P14416 5/20 0.46
DRD3 P35462 1/20 0.45
BTK Q06187 3/20 0.44
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
KCNA3 P22001 1/20 0.43
CTSK P43235 2/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 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
SCHEMBL594741 1.00 ALDH1A1 (0.52) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL6153333 0.86 KDM1A (0.47) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL32665319 0.86 KDM1A (0.49) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL31205987 0.86 KDM1A (0.49) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL30556445 0.86 KDM1A (0.49) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL25039551 0.86 EPHX2 (0.50) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL31205836 0.86 DRD2 (0.50) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL23720467 0.86 KDM1A (0.49) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL18481691 0.86 KDM1A (0.61) ALDH1A1RAB9AL3MBTL1NPC1MAPT
SCHEMBL20438294 0.86 KDM1A (0.61) ALDH1A1RAB9AL3MBTL1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885RAB9A 2193/4885L3MBTL1 2602/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885RAB9A 2193/4885L3MBTL1 2602/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885RAB9A 2193/4885L3MBTL1 2602/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885RAB9A 2193/4885L3MBTL1 2602/4885

“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.