SCHEMBL265337

SCHEMBL265337

COC(=O)[C@H]1CCCC[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.56
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL13338815 1.00 EPHX1 (0.56) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL13813780 1.00 EPHX1 (0.56) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL15866019 1.00 EPHX1 (0.56) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL2292051 1.00 EPHX1 (0.56) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL5523171 0.95 CHRM2 (0.52) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL25600204 0.95 CHRM2 (0.52) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL8349523 0.95 CHRM2 (0.52) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL14087020 0.95 CHRM2 (0.52) EPHX1CHRM2CHRM4CHRM3SLC6A2
SCHEMBL14087182 0.86 — —
SCHEMBL17892815 0.86 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 — — EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 — — 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 EPHX1 1767/4885CHRM2 469/4885CHRM4 263/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 EPHX1 1861/4885CHRM2 504/4885CHRM4 336/4885

“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.

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