SCHEMBL5417653

SCHEMBL5417653

CCCN1C2CCC1CC(Nc1ccc3c(cnn3S(C)(=O)=O)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.41
▸ ROCK1 Q13464 5/20 0.41
▸ ARHGDIA P52565 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL5417212 0.79 RXRA (0.47) ROCK2ROCK1ARHGDIAALDH1A1POLB
SCHEMBL5404336 0.73 ROCK2 (0.70) ROCK2ROCK1ARHGDIA
Hydrochloric Acid SCHEMBL5404775 0.72 ROCK2 (0.69) ROCK2ROCK1ARHGDIA
SCHEMBL1980303 0.67 ROCK2 (0.55) ROCK2ROCK1ARHGDIAKMT2A
SCHEMBL19538938 0.66 HDAC8 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL5425214 0.65 ROCK2 (0.45) ROCK2ROCK1ARHGDIAALDH1A1POLB
SCHEMBL13106895 0.64 CDC7 (0.45) ALDH1A1HPGDBRD4CREBBP
SCHEMBL5412656 0.64 ROCK2 (0.73) ROCK2ROCK1ARHGDIA
SCHEMBL13106873 0.64 FAAH (0.56) ROCK2ROCK1ALDH1A1HPGDKMT2A
SCHEMBL19538837 0.64 SLC22A12 (0.46) ALDH1A1POLBHPGDSMN1; SMN2KMT2A

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 ROCK2 2/4885ROCK1 1/4885ARHGDIA 3/4885

“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.

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