SCHEMBL13106304

SCHEMBL13106304

CCCCOc1cccc(N2CCC(O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ DRD2 P14416 1/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ CACNA1B Q00975 1/20 0.42

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
SCHEMBL9966983 0.88 MEN1 (0.54) MEN1KMT2AALDH1A1CYP2D6RAB9A
SCHEMBL23428585 0.87 NPY1R (0.49) MEN1KMT2ARAB9AMAPTDRD2
SCHEMBL17935500 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1CYP2D6RAB9A
SCHEMBL13106499 0.82 GRIN1 (0.58) MEN1KMT2AALDH1A1CYP2D6TSHR
SCHEMBL13349916 0.81 DRD2 (0.43) MEN1KMT2ATSHRMAPTDRD2
SCHEMBL13106685 0.80 TSHR (0.40) MEN1KMT2AALDH1A1CYP2D6TSHR
SCHEMBL13107131 0.80 GRIN1 (0.49) MEN1KMT2ATSHRMAPTDRD2
SCHEMBL23657145 0.79 ADRB1 (0.61) MEN1KMT2AALDH1A1RAB9ATSHR
SCHEMBL13107232 0.78 ALDH1A1 (0.54) ALDH1A1RAB9ATSHRMAPT
SCHEMBL13107332 0.78 DHODH (0.41) MEN1KMT2AALDH1A1CYP2D6RAB9A

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 3 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-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 MEN1 4763/4885KMT2A 1299/4885ALDH1A1 524/4885

“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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