SCHEMBL13097285

SCHEMBL13097285

CC(C)(O)CCOC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL11312585 0.82 SLC6A2 (0.33) ALDH1A1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL13097294 0.78 SLC6A2 (0.32) ALDH1A1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL13349843 0.76 SLC6A2 (0.30) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL2384781 0.74 SLC6A4 (0.36) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL2149346 0.74 SLC6A2 (0.36) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL22006026 0.73 SLC6A2 (0.31) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL28124713 0.73 PRKCA (0.33)
Bromide SCHEMBL11401473 0.72 SLC6A4 (0.35) SLC6A2HTR2AHTR2CSLC6A4HTR7
Hydrochloric Acid SCHEMBL848632 0.72 SLC6A4 (0.35) SLC6A2HTR2AHTR2CSLC6A4HTR7
SCHEMBL19023307 0.72 SLC6A2 (0.35) SLC6A2HTR2AHTR2CSLC6A4HTR7

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 4 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

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 ALDH1A1 524/4885SLC6A2 1834/4885HTR2A 3190/4885

“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.