SCHEMBL4080486

SCHEMBL4080486

Cc1[nH]c(=O)c2cc(F)ccc2c1C1CCN(CCO)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.46
CDK9 P50750 3/20 0.44
CCNT1 O60563 2/20 0.44
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
PARP1 P09874 1/20 0.39
DRD2 P14416 5/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL4078598 0.94 CCR3 (0.52) CCR3CDK9CASP3CASP7PARP1
SCHEMBL4075963 0.88 CCR3 (0.46) CCR3PARP1DRD2SLC6A4
SCHEMBL4072310 0.87 OPRM1 (0.47) PARP1DRD2SLC6A4HTR2AKCNH2
SCHEMBL4075348 0.85 SLC18A3 (0.45) PARP1DRD2HTR2AKCNH2
SCHEMBL4079404 0.85 PARP1 (0.43) CCR3CDK9CCNT1PARP1DRD2
SCHEMBL4068281 0.84 CCR3 (0.49) CCR3PARP1DRD2SLC6A4
SCHEMBL4075072 0.83 RAB9A (0.42) CCR3DRD2HTR2AHTR7
SCHEMBL4074502 0.83 TNKS (0.47) CCR3PARP1HTR2A
SCHEMBL4070060 0.81 OPRM1 (0.51) CCR3PARP1DRD2SLC6A4HTR2A
SCHEMBL4070213 0.80 SLC18A3 (0.50) CCR3PARP1DRD2HTR2AKCNH2

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 3824/4885CDK9 2280/4885CCNT1 1951/4885

“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.