SCHEMBL5874322

SCHEMBL5874322

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
CYP11B2 P19099 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GPR119 Q8TDV5 7/20 0.40
SCD5 Q86SK9 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NAMPT P43490 5/20 0.39
CYP2C9 P11712 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
SCHEMBL3324696 0.93 JAK2 (0.48) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL26633654 0.92 JAK2 (0.47) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL26633657 0.91 JAK2 (0.46) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL5874204 0.86 GPR119 (0.47) JAK2JAK1CYP11B2GPR119SCD5
SCHEMBL5874046 0.81 JAK2 (0.47) JAK2JAK1CYP11B2GPR119SCD5
SCHEMBL31566836 0.80 CYP11B2 (0.47) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL2529921 0.80 CA12 (0.54) GPR119OPRD1OPRK1
SCHEMBL348952 0.80 CYP11B2 (0.47) JAK2JAK1CYP11B2PDE4APDE4B
SCHEMBL3591187 0.79 GPR119 (0.51) JAK2JAK1CYP11B2GPR119OPRD1
SCHEMBL22509312 0.79 OPRM1 (0.55) JAK2JAK1GPR119

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 1324/4885CYP11B2 469/4885

“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.