SCHEMBL557502

SCHEMBL557502

Cn1ccc(C2CCN(C(=O)O)CC2c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.37
KCNH2 Q12809 5/20 0.37
USP30 Q70CQ3 1/20 0.33
DPP4 P27487 1/20 0.31
ROCK1 Q13464 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL533962 0.82 REN (0.40) RENKCNH2DPP4
SCHEMBL534057 0.73 REN (0.58) RENKCNH2DPP4
SCHEMBL535144 0.71 REN (0.74) RENKCNH2
SCHEMBL557684 0.70 REN (0.61) RENKCNH2
SCHEMBL556463 0.69 REN (0.58) RENKCNH2HIF1A
SCHEMBL556618 0.69 REN (0.75) RENKCNH2
SCHEMBL23291648 0.69 ROCK1 (0.40) USP30ROCK1HIF1A
SCHEMBL23291570 0.69 ROCK1 (0.40) USP30ROCK1HIF1A
SCHEMBL20211266 0.68 AAK1 (0.41) USP30ROCK1
SCHEMBL586426 0.68 HIF1A (0.42) KCNH2USP30ROCK1HIF1A

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 REN 1/4885KCNH2 1198/4885USP30 2266/4885

“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.