SCHEMBL4726142

SCHEMBL4726142

CCOC(OCC)c1nc2ccccc2n1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
RPS6KB1 P23443 4/20 0.43
ROCK1 Q13464 4/20 0.43
CYP11B2 P19099 2/20 0.42
CYP2D6 P10635 1/20 0.42
CCR5 P51681 1/20 0.42
OGFRL1 Q5TC84 6/20 0.41
OPRM1 P35372 5/20 0.41
OPRK1 P41145 5/20 0.41
OPRD1 P41143 4/20 0.41
OPRL1 P41146 1/20 0.41
CYP11B1 P15538 1/20 0.40
PRKACA P17612 3/20 0.39
GSK3B P49841 3/20 0.39
GRK6 P43250 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL18250316 0.79 TP53 (0.67) TP53RPS6KB1ROCK1CYP11B2CYP2D6
SCHEMBL19857795 0.78 CYP2D6 (0.52) TP53CYP2D6
SCHEMBL3450086 0.77 TP53 (0.68) TP53RPS6KB1ROCK1CYP11B2CYP2D6
SCHEMBL19863784 0.77 NPSR1 (0.58) CYP2D6NPSR1
Hydrochloric Acid SCHEMBL3449773 0.75 TP53 (0.66) TP53RPS6KB1ROCK1CYP11B2CYP2D6
SCHEMBL18250274 0.74 TP53 (0.76) TP53RPS6KB1ROCK1CYP2D6CCR5
SCHEMBL18250304 0.74 TP53 (0.72) TP53RPS6KB1ROCK1CYP11B2CYP2D6
SCHEMBL22623697 0.73 LMNA (0.50) TP53RPS6KB1ROCK1CYP11B2CCR5
SCHEMBL18250306 0.72 TP53 (0.79) TP53RPS6KB1ROCK1OGFRL1OPRM1
SCHEMBL4727057 0.71 HPGD (0.56) TP53

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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 TP53 1575/4885RPS6KB1 1587/4885ROCK1 3373/4885

“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.