SCHEMBL617292

SCHEMBL617292

CC(C)(C)OC(=O)NCc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
ESR2 Q92731 2/20 0.44
GAA P10253 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HDAC1 Q13547 2/20 0.40
IGF1R P08069 1/20 0.40
ALDH2 P05091 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL12072841 0.87 HTR2C (0.53) NAMPTL3MBTL1GAAFPR3FPR2
SCHEMBL9270340 0.82 ESR2 (0.42) NAMPTESR2ALDH2HTR2CHTR2B
SCHEMBL10233162 0.81 NAMPT (0.47) NAMPTL3MBTL1GAAFPR3FPR2
SCHEMBL10278112 0.81 NAMPT (0.47) NAMPTL3MBTL1GAAFPR3FPR2
SCHEMBL612556 0.80 ESR2 (0.47) NAMPTESR2CA1BRD4CREBBP
SCHEMBL3180689 0.80 L3MBTL1 (0.61) NAMPTL3MBTL1GAAFPR3FPR2
SCHEMBL25046762 0.80 BRD4 (0.46) NAMPTL3MBTL1BRD4CREBBP
SCHEMBL252733 0.80 NAMPT (0.45) NAMPTL3MBTL1GAAFPR3FPR2
SCHEMBL1668565 0.79 JAK3 (0.48) NAMPTL3MBTL1HTR2CHTR2B
SCHEMBL13186822 0.78 NAMPT (0.43) NAMPTL3MBTL1GAAFPR3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 NAMPT 2850/4885L3MBTL1 3730/4885ESR2 3016/4885

“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.