SCHEMBL2120649

SCHEMBL2120649

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.67
NR3C2 P08235 6/20 0.53
HTR1A P08908 11/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
HTR1D P28221 8/20 0.50
HTR1B P28222 8/20 0.50
SLC6A4 P31645 8/20 0.50
SIGMAR1 Q99720 1/20 0.47
PGR P06401 2/20 0.46
NR3C1 P04150 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
SCHEMBL2122500 0.90 PARP1 (0.82) PARP1HTR1ADRD2HTR2AHTR1D
SCHEMBL532506 0.80 PARP1 (1.00) PARP1HTR1ADRD2HTR2ASIGMAR1
SCHEMBL531687 0.78 DRD2 (0.66) PARP1NR3C2HTR1ADRD2HTR2A
SCHEMBL2304302 0.76 HTR1D (0.68) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL3777754 0.75 HTR1A (0.58) PARP1NR3C2HTR1ADRD2HTR2A
SCHEMBL12346145 0.75 HTR1A (0.67) PARP1HTR1ADRD2HTR2AHTR1D
SCHEMBL11002313 0.73 PARP1 (0.77) PARP1NR3C2HTR1ADRD2HTR1D
SCHEMBL531893 0.72 PARP1 (0.66) PARP1HTR1ADRD2HTR2A
SCHEMBL8785277 0.72 HTR1A (0.64) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL532419 0.72 PARP1 (0.82) PARP1

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-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
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 1/4885NR3C2 4674/4885HTR1A 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.