SCHEMBL13097263

SCHEMBL13097263

Brc1cncc(OCCC2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
GCK P35557 1/20 0.37
CYP11B2 P19099 1/20 0.35
PDE2A O00408 1/20 0.35
NFE2L2 Q16236 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL3103772 0.85 CHRNB2 (0.52) CHRNB2CHRNA4CYP11B2
SCHEMBL13097262 0.83 CHRNB4 (0.46) CHRNB2CHRNA4GCKCYP11B2PDE2A
SCHEMBL3577214 0.74 TSHR (0.55) CHRNB2CHRNA4
SCHEMBL113189 0.74 CYP11B1 (0.40) CHRNB2CHRNA4CYP11B2
SCHEMBL19668758 0.74 CHRNB2 (0.46) CHRNB2CHRNA4
SCHEMBL15716501 0.73 CHRNB2 (0.58) CHRNB2CHRNA4
SCHEMBL15884439 0.73 HRH3 (0.54)
SCHEMBL15884393 0.73 KDM4C (0.49) CHRNB2CHRNA4
SCHEMBL30542315 0.73 KDM4C (0.49) CHRNB2CHRNA4
SCHEMBL28467612 0.72 CHRNB2 (0.40) CHRNB2CHRNA4

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 CHRNB2 3048/4885CHRNA4 1760/4885GCK 659/4885

“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.