SCHEMBL5404554

SCHEMBL5404554

CCN(CC)[C@H]1CC[C@H](Oc2ccc3[nH]ncc3c2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
ESR2 Q92731 9/20 0.34
ESR1 P03372 8/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A4 P31645 2/20 0.32
CDK2 P24941 2/20 0.32
FLT3 P36888 2/20 0.32
CCNA1 P78396 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5417766 1.00 AXL (0.44) AXLTYRO3MERTKESR2ESR1
SCHEMBL5404564 1.00 AXL (0.44) AXLTYRO3MERTKESR2ESR1
SCHEMBL5401576 0.87 AXL (0.42) AXLTYRO3MERTKESR2ESR1
SCHEMBL5407629 0.87 AXL (0.39) AXLTYRO3MERTKESR2ESR1
SCHEMBL5407621 0.87 AXL (0.39) AXLTYRO3MERTKESR2ESR1
Hydrochloric Acid SCHEMBL5410088 0.86 AXL (0.38) AXLTYRO3MERTKESR2ESR1
Hydrochloric Acid SCHEMBL5410082 0.86 AXL (0.38) AXLTYRO3MERTKESR2ESR1
Hydrochloric Acid SCHEMBL5410074 0.86 AXL (0.38) AXLTYRO3MERTKESR2ESR1
SCHEMBL5410782 0.86 AXL (0.42) AXLTYRO3MERTKESR2ESR1
SCHEMBL5410779 0.86 AXL (0.42) AXLTYRO3MERTKESR2ESR1

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.