SCHEMBL1719798

SCHEMBL1719798

O=c1[nH]cc(C2=CCN(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.76
HTR1A P08908 12/20 0.76
HTR2A P28223 6/20 0.76
HTT P42858 1/20 0.76
OPRM1 P35372 1/20 0.65
OPRK1 P41145 1/20 0.65
PARP1 P09874 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR6 P50406 1/20 0.54
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
DRD1 P21728 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
SCHEMBL7543848 0.86 HTR1A (1.00) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL1719942 0.85 KDM4E (0.74) DRD2HTR1AHTR2AHTTKDM4E
SCHEMBL8723512 0.82 DRD2 (0.67) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL5803833 0.79 DRD2 (0.63) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL4810830 0.79 PARP1 (0.53) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL14280720 0.79 OPRM1 (1.00) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL13944353 0.78 DRD2 (0.79) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL4817530 0.78 PARP1 (0.53) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL9527241 0.78 OPRM1 (0.78) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL7536094 0.78 OPRM1 (0.78) DRD2HTR1AHTR2AHTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP claimed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 DRD2 3406/4885HTR1A 2300/4885HTR2A 2360/4885

“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.