SCHEMBL532984

SCHEMBL532984

O=C1COc2ccc(CCN3CCN(c4nc5ccccc5[nH]4)CC3)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.63
HTR1D P28221 16/20 0.63
HTR1B P28222 16/20 0.63
SLC6A4 P31645 14/20 0.63
DRD2 P14416 4/20 0.62
HTR2A P28223 3/20 0.62
KCNH2 Q12809 2/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL4189338 0.82 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL6525277 0.79 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4182140 0.79 HTR1A (0.72) HTR1AHTR1DHTR1BSLC6A4DRD2
Hydrochloric Acid SCHEMBL4171851 0.78 HTR1A (0.71) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL12346145 0.78 HTR1A (0.67) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL531878 0.77 HTR1A (0.65) HTR1AHTR1DHTR1BSLC6A4DRD2
Hydrochloric Acid SCHEMBL2358961 0.77 HTR1A (0.73) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL2302319 0.77 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4172034 0.77 HTR1A (0.64) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL4189187 0.77 HTR1A (1.00) HTR1AHTR1DHTR1BSLC6A4DRD2

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 9 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
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 HTR1A 2476/4885HTR1D 3931/4885HTR1B 2899/4885

“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.