SCHEMBL1720950

SCHEMBL1720950

CN1CCC(c2c[nH]c(=O)c3cc(N(C)C)ccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.47
HTR1B P28222 10/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
APP P05067 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTR1F P30939 2/20 0.44
HTR1A P08908 2/20 0.44
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 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
SCHEMBL1719925 0.83 HTR1D (0.50) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1719808 0.82 SLC6A4 (0.53) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1719682 0.82 HTR1D (0.49) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1720644 0.81 SLC6A4 (0.52) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1720540 0.80 SLC6A4 (0.50) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1720025 0.80 KDM4E (0.57) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1720798 0.79 APP (0.47) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1720375 0.77 SLC6A4 (0.53) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1720355 0.75 KDM4E (0.52) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1725262 0.75 KDM4E (0.52) HTR1DHTR1BAPPKDM4EHTR1F

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 HTR1D 3397/4885HTR1B 2522/4885CYP1A2 1405/4885

“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.