SCHEMBL5416884

SCHEMBL5416884

CCCN1C2CCC1CC(N(C(C)=O)c1ccc3[nH]ncc3c1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.40
▸ ROCK1 Q13464 6/20 0.40
▸ ARHGDIA P52565 3/20 0.40
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ S1PR1 P21453 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35

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
SCHEMBL5412677 0.82 S1PR1 (0.42) ROCK2ROCK1ARHGDIASLC6A2SLC6A4
SCHEMBL5422058 0.74 RXRA (0.47) —
SCHEMBL5640590 0.73 CHRM2 (0.61) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL5404336 0.72 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4
Hydrochloric Acid SCHEMBL5404775 0.72 ROCK2 (0.69) ROCK2ROCK1ARHGDIACYP3A4
SCHEMBL21761572 0.65 SLC6A2 (0.47) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL5413166 0.64 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4
SCHEMBL5412656 0.63 ROCK2 (0.73) ROCK2ROCK1ARHGDIACYP3A4
SCHEMBL5815706 0.63 SLC6A2 (0.49) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5412669 0.63 ROCK2 (0.69) ROCK2ROCK1ARHGDIACYP3A4

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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