SCHEMBL1720429

SCHEMBL1720429

CCN1CCC(c2c[nH]c(=O)c3cc(F)ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.59
SLC6A4 P31645 8/20 0.59
ADRA1D P25100 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
HTR1A P08908 5/20 0.49
HTR2A P28223 6/20 0.48
HTR7 P34969 5/20 0.48
KCNH2 Q12809 3/20 0.48
HTR6 P50406 3/20 0.48
DRD1 P21728 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL1719669 0.94 DRD2 (0.55) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1719808 0.86 SLC6A4 (0.53) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1719990 0.86 DRD2 (0.57) DRD2SLC6A4ADRA1DOPRM1OPRK1
Hydrochloric Acid SCHEMBL1720644 0.85 SLC6A4 (0.52) DRD2SLC6A4ADRA1DOPRM1OPRK1
Hydrochloric Acid SCHEMBL1719835 0.85 DRD2 (0.56) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1719809 0.83 PARP1 (0.51) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL1719820 0.83 SLC6A4 (0.47) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1720800 0.82 DRD2 (0.50) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1725262 0.81 KDM4E (0.52) DRD2SLC6A4ADRA1DOPRM1OPRK1
SCHEMBL1720375 0.81 SLC6A4 (0.53) DRD2SLC6A4ADRA1DOPRM1OPRK1

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 10 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
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 3406/4885SLC6A4 1822/4885ADRA1D 2550/4885

“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.