SCHEMBL13097684

SCHEMBL13097684

CCCCCC(=O)N1CCN(Cc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
MAPT P10636 7/20 0.48
HSD17B10 Q99714 3/20 0.48
USP2 O75604 3/20 0.46
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALOX15 P16050 1/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL13349933 0.97 MAPT (0.48) CYP2D6MAPTHSD17B10USP2ESR1
SCHEMBL13097537 0.83 ALDH1A1 (0.58) MAPTHSD17B10USP2ALDH1A1HTT
SCHEMBL13097541 0.82 HSD17B10 (0.49) CYP2D6MAPTHSD17B10USP2ESR1
SCHEMBL13097635 0.80 HSD17B10 (0.47) CYP2D6MAPTHSD17B10USP2ESR1
SCHEMBL3092059 0.75 CYP2D6 (0.57) CYP2D6MAPTHSD17B10USP2ALDH1A1
SCHEMBL13097631 0.74 CYP2D6 (0.58) CYP2D6MAPTHSD17B10USP2ALDH1A1
SCHEMBL2131896 0.73 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2LMNAHPGD
SCHEMBL8537338 0.73 CYP2D6 (0.66) CYP2D6HSD17B10ALDH1A1HTTSMN1; SMN2
SCHEMBL14301937 0.72 HTR7 (0.59) ALDH1A1HTTSMN1; SMN2LMNAHPGD
SCHEMBL12891618 0.72 CYP2D6 (0.68) CYP2D6HSD17B10ALDH1A1HTTSMN1; SMN2

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 4 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

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 CYP2D6 230/4885MAPT 4661/4885HSD17B10 164/4885

“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.