SCHEMBL5405638

SCHEMBL5405638

Cc1c(OC2CCN(C(C)C)CC2)ccc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL5413038 0.95 HRH3 (0.40) HRH3AXLTYRO3MERTKTLR9
SCHEMBL5419614 0.86 AXL (0.37) HRH3AXLTYRO3MERTKTLR9
SCHEMBL5408718 0.86 AXL (0.44) HRH3AXLTYRO3MERTK
SCHEMBL5414878 0.82 AXL (0.45) HRH3AXLTYRO3MERTKTLR9
SCHEMBL5412679 0.81 HRH3 (0.47) HRH3AXLTYRO3MERTK
SCHEMBL5417439 0.81 CYP4F2 (0.47) AXLTYRO3MERTKTLR7
SCHEMBL5413298 0.81 AXL (0.45) HRH3AXLTYRO3MERTKTLR9
SCHEMBL5413106 0.80 AXL (0.42) AXLTYRO3MERTK
SCHEMBL5401813 0.80 AXL (0.43) AXLTYRO3MERTKTLR9TLR8
SCHEMBL5410900 0.79 AXL (0.43) AXLTYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA HRH3 1124/4885AXL 1805/4885TYRO3 961/4885

“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.