SCHEMBL4068281

SCHEMBL4068281

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 9/20 0.49
PARP1 P09874 2/20 0.43
DRD2 P14416 3/20 0.41
SLC6A4 P31645 3/20 0.41
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL4075963 0.94 CCR3 (0.46) CCR3PARP1DRD2SLC6A4
SCHEMBL4077645 0.88 PARP1 (0.45) CCR3PARP1
SCHEMBL4078598 0.87 CCR3 (0.52) CCR3PARP1DRD2SLC6A4
SCHEMBL4074502 0.86 TNKS (0.47) CCR3PARP1
SCHEMBL4072790 0.86 OPRM1 (0.54) CCR3PARP1DRD2SLC6A4
SCHEMBL4076769 0.85 PARP1 (0.57) PARP1DRD2PARP2
SCHEMBL4080486 0.84 CCR3 (0.46) CCR3PARP1DRD2SLC6A4
SCHEMBL4079404 0.82 PARP1 (0.43) CCR3PARP1DRD2SLC6A4
SCHEMBL4078326 0.81 PARP1 (0.48) CCR3PARP1DRD2SLC6A4
SCHEMBL4069907 0.80 PARP1 (0.52) PARP1DRD2PARP2

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 6 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
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 CCR3 3824/4885PARP1 1/4885DRD2 3406/4885

“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.