SCHEMBL13096895

SCHEMBL13096895

O=C(C1CC1)N1CCN(C(=O)n2ccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
MGLL Q99685 3/20 0.51
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
JAK1 P23458 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP11B1 P15538 1/20 0.38
HTR2A P28223 1/20 0.37

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
SCHEMBL13097361 0.94 ALDH1A1 (0.53) FAAHMGLLALDH1A1LMNATSHR
SCHEMBL4038928 0.81 HTR2A (0.44) FAAHMGLLALDH1A1LMNAHPGD
SCHEMBL5650379 0.80 FAAH (0.50) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL12713291 0.79 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL30730242 0.79 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL5645313 0.79 FAAH (0.49) FAAHMGLLALDH1A1LMNAHPGD
SCHEMBL1687216 0.78 FAAH (0.55) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL1911804 0.78 FAAH (0.55) FAAHMGLLALDH1A1LMNATSHR
SCHEMBL5648212 0.78 FAAH (0.54) FAAHMGLLALDH1A1LMNAFNTA
SCHEMBL12706345 0.77 FAAH (0.51) FAAHMGLLALDH1A1LMNATSHR

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 FAAH 890/4885MGLL 393/4885ALDH1A1 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.