SCHEMBL4603000

SCHEMBL4603000

CCC(NC(=O)OC(C)(C)C)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
NAMPT P43490 2/20 0.45
ADORA2B P29275 1/20 0.44
TACR3 P29371 1/20 0.44
CTSK P43235 3/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 6/20 0.43
TRPV1 Q8NER1 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
SCHEMBL14931099 0.90 RAB9A (0.47) RAB9ANAMPTCTSKCTSSALDH1A1
SCHEMBL14923474 0.88 RAB9A (0.46) RAB9ANAMPTCTSKCTSSALDH1A1
SCHEMBL739452 0.87 SUCNR1 (0.49) RAB9ANAMPTCTSKCTSSCYP3A4
SCHEMBL739456 0.87 SUCNR1 (0.49) RAB9ANAMPTCTSKCTSSCYP3A4
SCHEMBL14923471 0.87 RAB9A (0.45) RAB9ANAMPTADORA2BCTSKCTSS
SCHEMBL3371141 0.86 RAB9A (0.47) RAB9ANAMPTCTSKCTSSALDH1A1
SCHEMBL18511285 0.86 KCNA5 (0.48) RAB9ANAMPTCTSKCTSSALDH1A1
SCHEMBL9718033 0.84 RAB9A (0.43) RAB9ANAMPTCTSKCTSSALDH1A1
SCHEMBL9608914 0.83 CTSK (0.56) CTSKCTSSALDH1A1
SCHEMBL12203909 0.83 CTSK (0.56) CTSKCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 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-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 RAB9A 1964/4885NAMPT 1945/4885ADORA2B 144/4885

“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.