SCHEMBL1725262

SCHEMBL1725262

CN1CCC(c2c[nH]c(=O)c3cc(F)ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
SLC6A4 P31645 3/20 0.48
DRD2 P14416 1/20 0.48
HSD11B1 P28845 4/20 0.47
ADRA1D P25100 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
HTR1A P08908 4/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1F P30939 2/20 0.43
APP P05067 1/20 0.43
HTR6 P50406 1/20 0.42

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
SCHEMBL1719808 0.92 SLC6A4 (0.53) SLC6A4DRD2ADRA1DOPRM1OPRK1
Hydrochloric Acid SCHEMBL1720644 0.91 SLC6A4 (0.52) SLC6A4DRD2ADRA1DOPRM1OPRK1
SCHEMBL1720375 0.87 SLC6A4 (0.53) SLC6A4DRD2ADRA1DOPRM1OPRK1
SCHEMBL1719669 0.85 DRD2 (0.55) SLC6A4DRD2HSD11B1ADRA1DOPRM1
SCHEMBL1720355 0.85 KDM4E (0.52) KDM4EATMSLC6A4OPRM1OPRK1
SCHEMBL1720800 0.83 DRD2 (0.50) SLC6A4DRD2HSD11B1ADRA1DOPRM1
SCHEMBL29206549 0.83 KDM4E (0.67) KDM4EATMSLC6A4HSD11B1OPRM1
SCHEMBL30877204 0.83 DRD2 (0.67) KDM4EATMSLC6A4DRD2ADRA1D
SCHEMBL30877857 0.83 KDM4E (0.67) KDM4EATMSLC6A4HSD11B1OPRM1
SCHEMBL1720727 0.83 KDM4E (0.70) KDM4EATMHTR1DHTR1BHTR1F

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-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 KDM4E 3585/4885ATM 1084/4885SLC6A4 1822/4885

“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.