SCHEMBL609646

SCHEMBL609646

CC(C)(C)OC(=O)N1CCC(OCc2nc(-c3ccc(Cl)nc3)no2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.73
HDAC4 P56524 3/20 0.45
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 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
SCHEMBL609466 0.88 GPR119 (0.55) GPR119CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL608951 0.85 GPR119 (0.72) GPR119HDAC4HDAC6
SCHEMBL17122217 0.85 GPR119 (0.84) GPR119HDAC4HDAC6
SCHEMBL304401 0.84 GPR119 (1.00) GPR119HDAC4HDAC6SMN1; SMN2
SCHEMBL4419008 0.84 GPR119 (0.73) GPR119HDAC4HDAC6PTPN2PTPN1
SCHEMBL609417 0.84 GPR119 (0.53) GPR119HDAC4CACNB4CACNA1ACACNA1G
SCHEMBL4416063 0.84 GPR119 (0.78) GPR119HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL4417299 0.83 GPR119 (0.69) GPR119HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL14640607 0.83 GPR119 (0.74) GPR119HDAC4HDAC6PTPN2PTPN1
SCHEMBL4420442 0.83 GPR119 (0.77) GPR119HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
EP-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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 (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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 GPR119 1/4885HDAC4 1512/4885HDAC6 2312/4885

“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.