SCHEMBL6403535

SCHEMBL6403535

CC(C)(C)OC(=O)N1CCC(n2c(-c3nonc3N)nc3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 9/20 0.66
▸ ROCK1 Q13464 7/20 0.66
▸ GSK3B P49841 8/20 0.63
▸ PRKACA P17612 7/20 0.63
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ OGFRL1 Q5TC84 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ RPS6KA5 O75582 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL9982687 0.82 OPRM1 (0.60) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL947135 0.81 LMNA (0.62) OPRM1OPRD1OGFRL1ALDH1A1OPRK1
SCHEMBL6401655 0.81 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACAALDH1A1
SCHEMBL6407241 0.78 RPS6KB1 (0.84) RPS6KB1ROCK1GSK3BPRKACARPS6KA5
SCHEMBL6405625 0.78 RPS6KB1 (1.00) RPS6KB1ROCK1GSK3BPRKACARPS6KA5
SCHEMBL4934581 0.77 OPRM1 (0.57) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL11901080 0.77 OPRM1 (0.58) OPRM1OPRD1OGFRL1ALDH1A1OPRK1
SCHEMBL31632781 0.76 OPRM1 (0.57) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL27349835 0.75 OPRM1 (0.57) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL3097660 0.73 BRD4 (0.48) OPRM1OPRD1OGFRL1OPRK1

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-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 — — US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 — — EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO 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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 RPS6KB1 63/4885ROCK1 2/4885GSK3B 403/4885

“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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