SCHEMBL5874046

SCHEMBL5874046

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.47
JAK1 P23458 4/20 0.47
GPR119 Q8TDV5 2/20 0.46
GRM5 P41594 1/20 0.45
CYP11B2 P19099 1/20 0.44
SCD5 Q86SK9 1/20 0.42
POLB P06746 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SPR P35270 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HSD11B1 P28845 2/20 0.41
PRKCA P17252 1/20 0.40
PTPN2 P17706 1/20 0.40
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL30936178 0.94 GPR119 (0.44) JAK2JAK1GPR119GRM5CYP11B2
SCHEMBL760836 0.93 JAK2 (0.50) JAK2JAK1GPR119GRM5POLB
SCHEMBL30017613 0.93 JAK2 (0.50) JAK2JAK1GPR119GRM5POLB
SCHEMBL3886709 0.91 GPR119 (0.46) JAK2JAK1GPR119GRM5POLB
SCHEMBL25261319 0.84 GPR119 (0.50) JAK2JAK1GPR119GRM5CYP11B2
SCHEMBL30308856 0.83 RORC (0.41) JAK2JAK1GPR119CYP11B2SCD5
SCHEMBL23210981 0.83 RORC (0.41) JAK2JAK1GPR119CYP11B2SCD5
SCHEMBL5874286 0.81 GPR119 (0.49) JAK2JAK1GPR119GRM5CYP11B2
SCHEMBL13037355 0.81 JAK2 (0.46) JAK2JAK1GPR119GRM5POLB
SCHEMBL5874322 0.81 JAK2 (0.44) JAK2JAK1GPR119CYP11B2SCD5

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 JAK2 2064/4885JAK1 1324/4885GPR119 3350/4885

“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.