SCHEMBL13097003

SCHEMBL13097003

Oc1cccc(OCCOCC2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CNR2 P34972 1/20 0.43
CNR1 P21554 1/20 0.43
CYP2D6 P10635 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
APP P05067 1/20 0.38
MAOB P27338 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL11246383 0.87 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL3098610 0.87 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL13096994 0.85 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL13097028 0.83 CNR2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL13097002 0.83 MAOB (0.47) CNR2CNR1CYP2D6MAOB
SCHEMBL13107194 0.83 ALDH1A1 (0.45) CYP2D6
SCHEMBL17534232 0.76 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL16902845 0.76 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL29639202 0.76 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB2CHRNA4CNR2
SCHEMBL1470185 0.75 CHRNB2 (0.69) CHRNB4CHRNA3CHRNB2CHRNA4CNR2

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 CHRNB4 2379/4885CHRNA3 1986/4885CHRNB2 3048/4885

“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.