SCHEMBL2122500

SCHEMBL2122500

O=C1COc2ccc(CCN3CC=C(c4ccc(Cl)cc4)CC3)cc2N1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.82
DRD4 P21917 2/20 0.55
HTR1A P08908 12/20 0.50
HTR1D P28221 9/20 0.50
HTR1B P28222 9/20 0.50
SLC6A4 P31645 9/20 0.50
SIGMAR1 Q99720 3/20 0.50
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL2120649 0.90 PARP1 (0.67) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL532506 0.90 PARP1 (1.00) PARP1DRD4HTR1ASIGMAR1DRD2
SCHEMBL532067 0.78 DRD2 (0.66) PARP1DRD4HTR1AHTR1DHTR1B
SCHEMBL2304302 0.76 HTR1D (0.68) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL12346145 0.75 HTR1A (0.67) PARP1DRD4HTR1AHTR1DHTR1B
SCHEMBL3777754 0.75 HTR1A (0.58) PARP1DRD4HTR1AHTR1DHTR1B
SCHEMBL532304 0.74 PARP1 (0.61) PARP1DRD4
SCHEMBL11002313 0.73 PARP1 (0.77) PARP1DRD4HTR1AHTR1DHTR1B
SCHEMBL532326 0.72 PARP1 (1.00) PARP1DRD4SIGMAR1DRD2DRD3
SCHEMBL532372 0.72 PARP1 (1.00) PARP1DRD4SIGMAR1DRD2DRD3

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 8 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-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
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
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 1/4885DRD4 4620/4885HTR1A 2476/4885

“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.