SCHEMBL6367680

SCHEMBL6367680

N#CCCCN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
GAA P10253 1/20 0.61
SIGMAR1 Q99720 5/20 0.58
DRD2 P14416 10/20 0.56
DRD3 P35462 8/20 0.56
HTR1A P08908 6/20 0.56
HTR2A P28223 5/20 0.56
TMEM97 Q5BJF2 4/20 0.56
DRD5 P21918 5/20 0.55
DRD1 P21728 3/20 0.55
DRD4 P21917 3/20 0.52
CACNA1G O43497 1/20 0.52
MAPT P10636 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL18754269 0.85 KDM4E (0.75) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL7055358 0.84 KCNH2 (0.51) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL6366461 0.84 HTR1A (0.55) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL6367416 0.84 SLC6A2 (0.52) KDM4EGAADRD2DRD3HTR1A
SCHEMBL5179759 0.80 KDM4E (0.69) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL5185979 0.80 SLC6A2 (0.51) KDM4EGAADRD2DRD3HTR1A
SCHEMBL9393977 0.79 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
Hydrochloric Acid SCHEMBL11622828 0.79 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL14459608 0.79 KDM4E (0.88) KDM4EGAASIGMAR1DRD2DRD3
Hydrochloric Acid SCHEMBL11637430 0.79 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3

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 12 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-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
EP-2870140-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS Lupin Limited (IN) 2015-05-13 EP disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 WO disclosed
WO-2014009872-A1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2014-01-16 WO disclosed
US-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 US disclosed
EP-1469854-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-27 EP disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 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 (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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 KDM4E 1190/4885GAA 2062/4885SIGMAR1 3797/4885
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 KDM4E 888/4885GAA 3529/4885SIGMAR1 4110/4885

“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.