SCHEMBL1583532

SCHEMBL1583532

CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.51
ENPP2 Q13822 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 9/20 0.47
KCNH2 Q12809 6/20 0.47
CYP3A4 P08684 2/20 0.46
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
HRH1 P35367 1/20 0.44
NR1H2 P55055 2/20 0.44
LIPE Q05469 1/20 0.43

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
SCHEMBL76458 0.88 NR1H2 (0.54) ENPP2ALDH1A1LMNAMAPTHRH3
SCHEMBL12795832 0.88 GPR119 (0.54) ALDH1A1LMNAMAPTHRH3KCNH2
SCHEMBL1583382 0.88 ESR2 (0.52) P2RX7ENPP2ALDH1A1LMNAMAPT
SCHEMBL1583805 0.87 NR1H2 (0.44) P2RX7ENPP2ALDH1A1LMNAMAPT
SCHEMBL14899254 0.87 MEN1 (0.54) P2RX7ENPP2ALDH1A1LMNAMAPT
SCHEMBL1206883 0.87 ALDH1A1 (0.47) ENPP2ALDH1A1LMNAMAPTHRH3
SCHEMBL3068738 0.86 GPR119 (0.53) ALDH1A1LMNAMAPTGRM5GRM1
SCHEMBL1665532 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTHRH3NR1H2
SCHEMBL1082128 0.86 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHRH3NR1H2
SCHEMBL1583541 0.85 HPGDS (0.48) P2RX7ENPP2GRM5GRM1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 WO disclosed
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 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 (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-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 P2RX7 2611/4885ENPP2 2411/4885ALDH1A1 310/4885

“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.