SCHEMBL3216446

SCHEMBL3216446

NC(=O)c1[c]ccc(N2CCCN(C(=O)C3CC3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MAP4K4 O95819 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
GBA1 P04062 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3205309 0.95 HCRTR1 (0.52) HCRTR1HCRTR2MAP4K4CKS1BSKP1
SCHEMBL3665112 0.95 CKS1B (0.47) HCRTR1HCRTR2MAP4K4CKS1BSKP1
SCHEMBL2783568 0.92 GBA1 (0.48) HCRTR1HCRTR2MAP4K4CKS1BSKP1
SCHEMBL3634174 0.86 CKS1B (0.38) HCRTR1HCRTR2MAP4K4CKS1BSKP1
SCHEMBL3810632 0.85 CKS1B (0.37) MAP4K4CKS1BSKP1SKP2GBA1
SCHEMBL4965500 0.82 PARP1 (0.46) MAP4K4TDP1MAPTNPC1MEN1
SCHEMBL2744801 0.81 PARP1 (0.47) MAP4K4TDP1MAPTNPC1MEN1
SCHEMBL3668358 0.79 MAP4K4 (0.47) MAP4K4CKS1BSKP1SKP2GBA1
SCHEMBL3204010 0.79 HRH4 (0.43) CKS1BSKP1SKP2GBA1HRH3
SCHEMBL2828055 0.78 HRH3 (0.50) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO claimed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 US claimed
US-8211884-B2 2,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acid, hydrochloride; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2010017040-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC (US) 2010-02-11 WO disclosed
US-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-02-11 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-20100035864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HCRTR1 4296/4885HCRTR2 3862/4885MAP4K4 2283/4885

“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.