SCHEMBL5874035

SCHEMBL5874035

CC(C)(C)OC(=O)NC1(c2ccccn2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
CYP11B2 P19099 1/20 0.43
GRM5 P41594 1/20 0.42
SCD5 Q86SK9 1/20 0.42
CYP2D6 P10635 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
USP30 Q70CQ3 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
TSHR P16473 3/20 0.40
CYP2C19 P33261 2/20 0.40
AKT1 P31749 1/20 0.40
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 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
SCHEMBL5874127 0.95 GPR119 (0.44) GPR119JAK2JAK1CYP11B2GRM5
SCHEMBL30936139 0.89 HSD17B10 (0.45) GPR119JAK2JAK1CYP11B2GRM5
SCHEMBL23121308 0.88 HDAC3 (0.44) GRM5OPRD1OPRK1
SCHEMBL29862774 0.88 HDAC3 (0.44) GRM5OPRD1OPRK1
SCHEMBL4923232 0.84 AKT1 (0.46) GPR119AKT1VNN1MAPK1
SCHEMBL2390889 0.81 AKT1 (0.42) GPR119JAK2JAK1GRM5AKT1
SCHEMBL5874286 0.81 GPR119 (0.49) GPR119JAK2JAK1CYP11B2GRM5
SCHEMBL5874091 0.80 JAK2 (0.44) GPR119JAK2JAK1CYP11B2POLB
SCHEMBL5874210 0.80 NAMPT (0.46) GPR119JAK2JAK1CYP11B2CYP2D6
SCHEMBL2392925 0.79 GPR119 (0.46) GPR119JAK2JAK1GRM5CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 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-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS GPR119 3350/4885JAK2 2064/4885JAK1 1324/4885

“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.