SCHEMBL4070060

SCHEMBL4070060

Cc1[nH]c(=O)c2cc(Cl)ccc2c1C1CCN(CCO)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
OPRK1 P41145 3/20 0.51
OPRD1 P41143 2/20 0.51
OPRL1 P41146 2/20 0.51
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
CCR3 P51677 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL4072310 0.94 OPRM1 (0.47) OPRM1OPRK1OPRD1OPRL1KDM4E
SCHEMBL4075072 0.89 RAB9A (0.42) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL13901615 0.88 CCR3 (0.43) OPRM1OPRK1OPRD1OPRL1KDM4E
SCHEMBL4072790 0.87 OPRM1 (0.54) OPRM1OPRK1OPRD1OPRL1KDM4E
SCHEMBL4078598 0.87 CCR3 (0.52) DRD2HTR2ASLC6A4CCR3PARP1
SCHEMBL4073316 0.86 OPRM1 (0.48) OPRM1OPRK1OPRD1OPRL1HTR2A
SCHEMBL4070213 0.86 SLC18A3 (0.50) OPRM1OPRK1DRD2HTR2ACCR3
SCHEMBL4072256 0.84 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1KDM4E
SCHEMBL4075348 0.81 SLC18A3 (0.45) OPRM1OPRK1DRD2HTR2ATLR9
SCHEMBL4078373 0.81 OPRM1 (0.47) OPRM1OPRK1OPRD1OPRL1DRD2

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 OPRM1 3587/4885OPRK1 2040/4885OPRD1 3846/4885

“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.