SCHEMBL1720879

SCHEMBL1720879

Cc1[nH]c(=O)c2ccccc2c1CN1CCC(O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MCL1 Q07820 2/20 0.42
PARP1 P09874 2/20 0.42
POLB P06746 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHIA Q9BZP6 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1719911 0.92 ALDH1A1 (0.47) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL4075972 0.92 ALDH1A1 (0.47) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1719913 0.92 ALDH1A1 (0.47) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1720713 0.85 L3MBTL1 (0.56) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1719858 0.85 MAPT (0.42) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1720627 0.85 KDM4E (0.53) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1720263 0.84 ALDH1A1 (0.52) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1719789 0.84 MCL1 (0.42) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1721105 0.84 OPRD1 (0.41) MAPTKMT2AKDM4EALDH1A1HTT
SCHEMBL1720039 0.83 KMT2A (0.57) MAPTKMT2AKDM4EALDH1A1HTT

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 10 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
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 MAPT 815/4885KMT2A 1063/4885KDM4E 3585/4885

“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.