SCHEMBL13097071

SCHEMBL13097071

COCCOC1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.44
OPRM1 P35372 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
VCP P55072 1/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ADORA2A P29274 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL13097297 0.84 DRD2 (0.43) DRD2DRD3OPRM1MEN1KMT2A
SCHEMBL13097288 0.83 DRD2 (0.45) DRD2DRD3OPRM1MEN1KMT2A
SCHEMBL13349863 0.81 LIPC (0.38) MAPTLIPCLIPGVCPTMEM97
SCHEMBL13097067 0.80 MAOB (0.47) KMT2AALDH1A1LMNAMAPTTMEM97
SCHEMBL13349916 0.80 DRD2 (0.43) DRD2MEN1KMT2AMAPTKCNH2
SCHEMBL19297515 0.77 LIPC (0.40) ALDH1A1LMNAMAPTSMN1; SMN2LIPC
SCHEMBL12311807 0.75 DPP4 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1911920 0.74 DPP4 (0.40) ALDH1A1MAPT
SCHEMBL13097313 0.73 MEN1 (0.53) DRD2DRD3OPRM1MEN1KMT2A
SCHEMBL28385258 0.72 AOC3 (0.42) OPRM1ALDH1A1LIPCLIPG

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-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 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 2420/4885OPRM1 1092/4885

“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.