SCHEMBL556382

SCHEMBL556382

Cc1cc(-c2ccccc2CCNC(=O)OCc2ccccc2)ccc1C1C(=O)CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.39
KCNH2 Q12809 6/20 0.39
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
KAT2B Q92831 1/20 0.35
GAA P10253 1/20 0.35
FKBP1A P62942 2/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KCNA5 P22460 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL556192 0.79 ABCB1 (0.39) RENKCNH2L3MBTL1ENPP2CD274
SCHEMBL556138 0.77 REN (0.58) RENKCNH2IDO1L3MBTL1CD274
SCHEMBL533911 0.76 REN (0.48) RENKCNH2IDO1L3MBTL1ENPP2
SCHEMBL557261 0.72 ESR1 (0.38) GAALMNACASP1
SCHEMBL556434 0.71 REN (0.56) RENKCNH2
SCHEMBL557671 0.71 REN (0.60) RENKCNH2
SCHEMBL11899204 0.69 REN (0.60) RENKCNH2IDO1L3MBTL1ENPP2
SCHEMBL11899203 0.69 REN (0.60) RENKCNH2IDO1L3MBTL1ENPP2
SCHEMBL10202500 0.68 REN (0.56) RENKCNH2L3MBTL1ENPP2
SCHEMBL533903 0.68 REN (0.46) RENKCNH2CD274

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 1198/4885IDO1 3324/4885

“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.