SCHEMBL532029

SCHEMBL532029

CC1Oc2ccc(CN3CCN(c4ccc(NC(=O)C5CC5)cc4)CC3)cc2NC1=O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.71
KDM4E B2RXH2 1/20 0.50
TRPV1 Q8NER1 3/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL531732 0.90 PARP1 (0.72) PARP1KDM4EDRD2DRD4DRD3
SCHEMBL531891 0.90 PARP1 (0.74) PARP1KDM4EDRD2DRD4DRD3
SCHEMBL531870 0.86 PARP1 (0.77) PARP1KDM4EDRD2DRD4DRD3
SCHEMBL531929 0.83 PARP1 (0.81) PARP1DRD2DRD4DRD3
SCHEMBL531987 0.83 PARP1 (0.81) PARP1DRD2DRD4DRD3
SCHEMBL533095 0.83 PARP1 (0.53) PARP1KDM4ETRPV1CYP3A4
SCHEMBL15998633 0.83 PARP1 (0.74) PARP1DRD2DRD4DRD3
SCHEMBL531942 0.83 PARP1 (1.00) PARP1DRD2DRD4DRD3
SCHEMBL532142 0.83 PARP1 (0.80) PARP1DRD2DRD4DRD3
SCHEMBL531839 0.82 PARP1 (0.73) PARP1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP claimed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US claimed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US claimed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP claimed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 2176/4885TRPV1 4823/4885

“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.