SCHEMBL1720032

SCHEMBL1720032

O=c1[nH]cc(C2CCNCC2)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
ADRB2 P07550 1/20 0.47
APP P05067 4/20 0.44
KCNH2 Q12809 1/20 0.43
HTR1A P08908 2/20 0.42
HTR6 P50406 1/20 0.42
SLC6A4 P31645 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
PARP1 P09874 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IDO1 P14902 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL1720415 0.99 HTR2C (0.48) HTR2CADRB2APPKCNH2HTR1A
SCHEMBL4072108 0.92 HTR3A (0.45) HTR2CADRB2SLC6A4PARP1IDO1
Hydrochloric Acid SCHEMBL1720653 0.91 HTR3A (0.44) HTR2CADRB2SLC6A4PARP1IDO1
SCHEMBL1720620 0.83 APP (0.47) HTR2CADRB2APPHTR1AHTR6
SCHEMBL1719682 0.82 HTR1D (0.49) APPHTR1AHTR6OPRM1OPRK1
Hydrochloric Acid SCHEMBL1720105 0.82 HTR2C (0.48) HTR2CADRB2APPHTR1AHTR6
SCHEMBL2781047 0.81 HTR2C (0.62) HTR2CADRB2APPKCNH2HTR1A
SCHEMBL4675208 0.81 HTR2C (0.62) HTR2CADRB2APPKCNH2HTR1A
SCHEMBL1719804 0.80 HTR2C (0.66) HTR2CADRB2APPKCNH2HTR6
Hydrochloric Acid SCHEMBL7867871 0.79 HTR2C (0.63) HTR2CADRB2APPKCNH2HTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP claimed
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 HTR2C 2811/4885ADRB2 3775/4885APP 1609/4885

“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.