SCHEMBL5412296

SCHEMBL5412296

Cc1c(O[C@H]2CCC[C@@H](N(C)Cc3ccccc3)C2)ccc2[nH]ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ROCK2 O75116 5/20 0.36
ROCK1 Q13464 4/20 0.36
ARHGDIA P52565 1/20 0.36
PDK1 Q15118 1/20 0.36
GRIN2B Q13224 1/20 0.35
CCR2 P41597 2/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SLC18A3 Q16572 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL5412290 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5412301 1.00 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5412792 0.85 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5412795 0.85 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5412791 0.85 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5401742 0.85 AXL (0.37) AXLTYRO3MERTK
SCHEMBL5401746 0.85 AXL (0.37) AXLTYRO3MERTK
SCHEMBL5401210 0.84 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5401202 0.84 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1
SCHEMBL5401207 0.84 AXL (0.34) SLC6A4SLC6A2SLC6A3ROCK2ROCK1

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 SLC6A4 4344/4885SLC6A2 3892/4885SLC6A3 3792/4885

“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.