SCHEMBL5407632

SCHEMBL5407632

CCCN(CCC)C(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.54
WNT3A P56704 7/20 0.54
CYP2D6 P10635 3/20 0.50
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 3/20 0.50
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
HPGD P15428 1/20 0.47
S1PR1 P21453 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.45
MAOB P27338 2/20 0.44
MLYCD O95822 1/20 0.44

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
SCHEMBL5409208 0.81 ROCK2 (0.58) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL31580716 0.80 CTNNB1 (0.53) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL4404815 0.78 CTNNB1 (0.69) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL18154915 0.76 CTNNB1 (0.51) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL3637193 0.76 CTNNB1 (0.52) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL29521387 0.76 ROCK2 (0.64) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL122504 0.76 ROCK2 (0.64) CTNNB1WNT3AROCK2ROCK1MEN1
SCHEMBL5404361 0.75 MAOB (0.59) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL145658 0.74 CTNNB1 (0.60) CTNNB1WNT3ACYP2D6SLC6A2SLC6A4
SCHEMBL19086030 0.74 MAOB (0.62) CTNNB1WNT3AROCK2ROCK1MEN1

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 CTNNB1 2647/4885WNT3A 3494/4885CYP2D6 3216/4885

“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.