SCHEMBL4072108

SCHEMBL4072108

O=c1[nH]cc(C2CCNC2)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.45
SLC6A4 P31645 2/20 0.39
ADRB2 P07550 1/20 0.38
HTR2C P28335 1/20 0.38
JAK3 P52333 1/20 0.38
PARP1 P09874 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
IDO1 P14902 3/20 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
Hydrochloric Acid SCHEMBL1720653 0.99 HTR3A (0.44) HTR3ASLC6A4ADRB2HTR2CJAK3
SCHEMBL1720032 0.92 HTR2C (0.47) SLC6A4ADRB2HTR2CPARP1IDO1
Hydrochloric Acid SCHEMBL1720415 0.90 HTR2C (0.48) SLC6A4ADRB2HTR2CPARP1IDO1
SCHEMBL1720378 0.84 HTR2A (0.48) SLC6A4ADRB2HTR2CPARP1CHRNB2
Hydrochloric Acid SCHEMBL1720571 0.83 HTR2A (0.47) SLC6A4ADRB2HTR2CPARP1
SCHEMBL31328282 0.82 SLC6A4 (0.56) HTR3ASLC6A4ADRB2HTR2CIDO1
SCHEMBL4077866 0.81 HTR2C (0.54) ADRB2HTR2CPARP1
Hydrochloric Acid SCHEMBL1719553 0.80 HTR2C (0.55) ADRB2HTR2CPARP1
SCHEMBL1719682 0.77 HTR1D (0.49)
SCHEMBL1720355 0.75 KDM4E (0.52) SLC6A4

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 HTR3A 2349/4885SLC6A4 1822/4885ADRB2 3775/4885

“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.