SCHEMBL3204010

SCHEMBL3204010

CC(C)(C)CC(=O)N1CCCN(c2cc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.43
ME2 P23368 3/20 0.39
ME1 P48163 3/20 0.39
ME3 Q16798 3/20 0.39
RET P07949 4/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
SMO Q99835 1/20 0.38
ADORA2A P29274 1/20 0.38
ALOX5AP P20292 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GBA1 P04062 1/20 0.34

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
SCHEMBL3629275 0.83 CKS1B (0.47) HRH4HRH3CKS1BSKP1SKP2
SCHEMBL3672661 0.80 CKS1B (0.46) TP53SMOADORA2ACKS1BSKP1
SCHEMBL4965500 0.79 PARP1 (0.46) KDM4EPOLB
SCHEMBL3216446 0.79 HCRTR1 (0.46) TP53HRH3CKS1BSKP1SKP2
SCHEMBL3668358 0.79 MAP4K4 (0.47) TP53CKS1BSKP1SKP2KDM4E
SCHEMBL2744801 0.78 PARP1 (0.47) KDM4EPOLB
SCHEMBL3205309 0.77 HCRTR1 (0.52) HRH3CKS1BSKP1SKP2GBA1
SCHEMBL3811876 0.76 JAK1 (0.43) HRH4
SCHEMBL2744970 0.76 PARP1 (0.49) HRH4HRH3KDM4E
SCHEMBL3638386 0.76 MAP4K4 (0.50) SMOHRH3KDM4E

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 4 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
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 HRH4 3422/4885ME2 1140/4885ME1 668/4885

“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.