SCHEMBL1720933

SCHEMBL1720933

CCN1CCC(c2c[nH]c(=O)c3cc(Cl)ccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
SLC6A4 P31645 5/20 0.41
DRD2 P14416 4/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
OPRD1 P41143 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL1719865 0.86 OPRM1 (0.47) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL1719669 0.86 DRD2 (0.55) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL1720355 0.85 KDM4E (0.52) OPRM1OPRK1OPRL1SLC6A4KDM4E
SCHEMBL1721101 0.84 CYP2D6 (0.49) SLC6A4ALDH1A1KDM4EPOLBCYP2D6
SCHEMBL1719682 0.83 HTR1D (0.49) OPRM1OPRK1OPRL1HTR1ACYP2D6
SCHEMBL1719586 0.82 OPRK1 (0.50) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL1720429 0.80 DRD2 (0.59) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL4072256 0.78 OPRM1 (0.50) OPRM1OPRK1OPRL1SLC6A4DRD2
SCHEMBL1719809 0.77 PARP1 (0.51) SLC6A4DRD2ALDH1A1KDM4EHTR2A
SCHEMBL1720201 0.76 AVPR1A (0.48) OPRM1OPRK1OPRL1KMT2AMEN1

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 OPRM1 3587/4885OPRK1 2040/4885OPRL1 3210/4885

“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.