SCHEMBL557123

SCHEMBL557123

CCOC(=O)C1=C(c2ccc(F)c(F)c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
MMP13 P45452 1/20 0.40
BTK Q06187 1/20 0.39
DPP4 P27487 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5729554 0.89 CHRM5 (0.48) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL25427702 0.86 CHRM5 (0.48) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5731017 0.86 CHRM5 (0.48) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14920289 0.86 CHRM5 (0.50) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL534910 0.86 CHRM5 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3197591 0.86 SLC6A3 (0.55) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2243902 0.85 ADORA1 (0.46) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18618579 0.85 ESR2 (0.50) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2240101 0.84 CHRM5 (0.61) ADORA1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2242238 0.84 CHRM5 (0.53) ADORA1CHRM2CHRM4CHRM5CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ADORA1 2342/4885CHRM2 4748/4885CHRM4 4765/4885

“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.