SCHEMBL464512

SCHEMBL464512

O=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]c(=O)c3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.64
CYP3A4 P08684 4/20 0.64
CYP1A2 P05177 3/20 0.64
HPGD P15428 3/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP2C19 P33261 2/20 0.64
HTR1A P08908 2/20 0.64
CYP2C9 P11712 2/20 0.64
DRD2 P14416 2/20 0.64
HTR2C P28335 2/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
DRD1 P21728 1/20 0.64
DRD4 P21917 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
SLC6A4 P31645 1/20 0.64

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
SCHEMBL464537 0.94 HTR2A (0.72) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL14271386 0.90 HTR2A (0.52) HTR2ACYP3A4CYP1A2HPGDALDH1A1
Declenperone SCHEMBL2112237 0.88 HTR2A (0.69) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL11707541 0.86 HTR2A (0.69) HTR2ACYP3A4CYP1A2HPGDALDH1A1
Butanserin SCHEMBL875652 0.82 HTR2A (0.89) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL8018901 0.82 HTR2A (0.78) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL14271387 0.82 HTR2A (0.58) HTR2ACYP3A4CYP1A2ALDH1A1CYP2C19
SCHEMBL3404250 0.80 HTR2A (0.58) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL11708157 0.80 HTR2A (0.58) HTR2ACYP3A4CYP1A2HPGDALDH1A1
SCHEMBL11707801 0.80 HTR2A (0.58) HTR2ACYP3A4CYP1A2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763523-B1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-03-20 EP claimed
US-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9255080-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-02-09 US disclosed
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-04-10 US disclosed
US-8623884-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 US disclosed
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS KENNIS LUDO EDMOND JOSEPHINE (BE) 2012-03-15 US disclosed
US-8080557-B2 Quinazolinedione derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2011-12-20 US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 US disclosed
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors JANSSEN PHARMCEUTICA, NV (BE) 2008-02-14 US disclosed
WO-2006003148-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 EP 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 (4 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-20160108020-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 HTR2A 836/4885CYP3A4 506/4885CYP1A2 383/4885
US-20080039480-A1 Quinazolinedione Derivatives as Parp Inhibitors PARP1, PARP2, PARP3 HTR2A 836/4885CYP3A4 506/4885CYP1A2 383/4885
US-20120065216-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 HTR2A 836/4885CYP3A4 506/4885CYP1A2 383/4885
US-20140100239-A1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 HTR2A 836/4885CYP3A4 506/4885CYP1A2 383/4885

“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.