SCHEMBL5407629

SCHEMBL5407629

CCN(CC)C1CCCC(Oc2ccc3[nH]ncc3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
S1PR1 P21453 2/20 0.32
ESR2 Q92731 5/20 0.31
ESR1 P03372 4/20 0.31
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
MAP4K1 Q92918 2/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5407621 1.00 AXL (0.39) AXLTYRO3MERTKSLC6A4DRD2
Hydrochloric Acid SCHEMBL5410074 0.99 AXL (0.38) AXLTYRO3MERTKSLC6A4DRD2
Hydrochloric Acid SCHEMBL5410088 0.99 AXL (0.38) AXLTYRO3MERTKSLC6A4DRD2
Hydrochloric Acid SCHEMBL5410082 0.99 AXL (0.38) AXLTYRO3MERTKSLC6A4DRD2
SCHEMBL5418943 0.91 DRD2 (0.43) AXLTYRO3MERTKDRD2DRD3
SCHEMBL5418941 0.91 DRD2 (0.43) AXLTYRO3MERTKDRD2DRD3
Hydrochloric Acid SCHEMBL5416937 0.90 DRD2 (0.42) AXLTYRO3MERTKDRD2DRD3
Hydrochloric Acid SCHEMBL5416941 0.90 DRD2 (0.42) AXLTYRO3MERTKDRD2DRD3
Hydrochloric Acid SCHEMBL5416935 0.90 DRD2 (0.42) AXLTYRO3MERTKDRD2DRD3
SCHEMBL5415018 0.89 AXL (0.37) AXLTYRO3MERTKDRD2DRD3

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 AXL 1805/4885TYRO3 961/4885MERTK 2198/4885

“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.