SCHEMBL3099236

SCHEMBL3099236

CCOC(=O)N1CCC(CCc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.48
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
MAPK10 P53779 2/20 0.48
MEN1 O00255 2/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 6/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL13097909 0.94 SMN1; SMN2 (0.52) SMN1; SMN2HTTTSHRALDH1A1KMT2A
SCHEMBL28784783 0.88 CYP2D6 (0.43) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL13097727 0.86 SMN1; SMN2 (0.46) SMN1; SMN2HTTTSHRALDH1A1KMT2A
SCHEMBL13097758 0.86 NPC1 (0.45) SMN1; SMN2HTTALDH1A1KMT2AMAPK10
SCHEMBL13097746 0.85 MAPT (0.43) SMN1; SMN2HTTALDH1A1KMT2AMAPK10
SCHEMBL13097901 0.84 MAPK10 (0.43) SMN1; SMN2HTTTSHRALDH1A1KMT2A
SCHEMBL13097756 0.84 CYP2D6 (0.39) SMN1; SMN2HTTALDH1A1KMT2ALMNA
SCHEMBL13097900 0.84 MAPT (0.41) SMN1; SMN2HTTALDH1A1KMT2AMAPK10
SCHEMBL13097778 0.83 CYP2D6 (0.43) SMN1; SMN2HTTALDH1A1LMNAMAPK10
SCHEMBL13097751 0.82 MAPK10 (0.48) SMN1; SMN2HTTTSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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
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 SMN1; SMN2 4848/4885HTT 4209/4885TSHR 4536/4885

“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.