SCHEMBL531890

SCHEMBL531890

CC1Oc2cc(CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)ccc2NC1=O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.77
DRD2 P14416 7/20 0.55
DRD4 P21917 7/20 0.55
DRD3 P35462 3/20 0.55
PIK3CA P42336 1/20 0.42
PRKAA2 P54646 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL532305 0.92 PARP1 (0.77) PARP1DRD2DRD4DRD3
SCHEMBL15500316 0.89 PARP1 (0.81) PARP1DRD2DRD4DRD3
SCHEMBL10260145 0.88 PARP1 (0.83) PARP1DRD2DRD4DRD3
SCHEMBL2122266 0.87 PARP1 (0.81) PARP1DRD2DRD4DRD3CHRM5
SCHEMBL531589 0.87 PARP1 (1.00) PARP1DRD2DRD4DRD3
SCHEMBL532993 0.85 PARP1 (0.80) PARP1DRD2DRD4DRD3
SCHEMBL531775 0.82 PARP1 (0.73) PARP1DRD2DRD4DRD3
SCHEMBL2123056 0.82 PARP1 (0.90) PARP1DRD2DRD4DRD3
SCHEMBL2123061 0.82 PARP1 (0.90) PARP1DRD2DRD4DRD3
SCHEMBL532659 0.81 PARP1 (0.81) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DRD2 4579/4885DRD4 4620/4885

“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.