SCHEMBL13097288

SCHEMBL13097288

CC(C)(O)CCOC1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 5/20 0.38
VCP P55072 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM4 P08173 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
SCHEMBL13097297 0.88 DRD2 (0.43) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL13097071 0.83 DRD2 (0.48) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL13097287 0.83 F10 (0.44) KMT2ATMEM97SIGMAR1MAPTALDH1A1
SCHEMBL13106685 0.82 TSHR (0.40) DRD2MEN1KMT2AMAPTALDH1A1
SCHEMBL13097708 0.73 CYP2D6 (0.58) KMT2AVCPMAPTALDH1A1LMNA
SCHEMBL13097296 0.71 MAOB (0.42) KMT2ATMEM97SIGMAR1MAPTALDH1A1
SCHEMBL15158793 0.71 SIGMAR1 (0.41) DRD3TMEM97SIGMAR1LMNAGAA
SCHEMBL13097313 0.70 MEN1 (0.53) DRD2DRD3MEN1KMT2AOPRM1
SCHEMBL17001272 0.70 DRD4 (0.41) DRD3TMEM97SIGMAR1MAPTALDH1A1
SCHEMBL13106299 0.70 DRD2 (0.39) DRD2MAPTCYP2D6

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 DRD2 3106/4885DRD3 2420/4885MEN1 4763/4885

“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.