SCHEMBL4764757

SCHEMBL4764757

Nc1cc(C2CCCN2C(=O)OCc2ccccc2)nn1CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.46
TMEM97 Q5BJF2 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
PREP P48147 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACE2 Q9BYF1 2/20 0.41
GFER P55789 1/20 0.41
CTRB1 P17538 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4764747 1.00 AADAT (0.46) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL4762083 0.76 AADAT (0.39) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL4762090 0.76 AADAT (0.39) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL28946630 0.75 PREP (0.51) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL28946632 0.75 PREP (0.51) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL3556069 0.75 AADAT (0.51) AADATTMEM97SIGMAR1PREPNPSR1
SCHEMBL29174258 0.74 HSD11B1 (0.54) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL4765823 0.73 PARP1 (0.41) AADATTMEM97SIGMAR1PREP
SCHEMBL29277932 0.72 PREP (0.52) AADATTMEM97SIGMAR1PREPACE2
SCHEMBL8222441 0.71 CPT1A (0.49) AADATTMEM97SIGMAR1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 US disclosed
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 EP disclosed
US-8546368-B2 Pyrazoloquinolones are potent PARP inhibitors ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2468748-A1 Pyrazoloquinolones are potent parp inhibitors Abbott Laboratories (US) 2012-06-27 EP disclosed
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO 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 (2 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-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 AADAT 3616/4885TMEM97 4343/4885SIGMAR1 4279/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 AADAT 3616/4885TMEM97 4343/4885SIGMAR1 4279/4885

“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.