SCHEMBL13097359

SCHEMBL13097359

O=CC1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
CHRNB2 P17787 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNB3 Q05901 3/20 0.52
CHRNA6 Q15825 3/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA7 P36544 1/20 0.39
HSD11B1 P28845 2/20 0.39
LMNA P02545 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
SCHEMBL4679326 0.90 ALDH1A1 (0.67) HPGDALDH1A1TSHRSMN1; SMN2HSD11B1
SCHEMBL26047844 0.86 HPGD (0.43) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24026631 0.82 HPGD (0.43) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL29607150 0.80 ALDH1A1 (0.48) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2956853 0.78
SCHEMBL19569940 0.78 ALDH1A1 (0.75) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL453485 0.77
SCHEMBL31708220 0.76 HTT (0.37) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25498349 0.76 HTT (0.44) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21577629 0.76 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK HPGD 43/4885CHRNB2 3048/4885CHRNA3 1986/4885

“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.