SCHEMBL20087016

SCHEMBL20087016

COc1ccc(C(CC(=O)OC(C)(C)C)NCC(C)OC)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.38
NR3C1 P04150 3/20 0.37
KCNK3 O14649 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CHRNA7 P36544 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
OXTR P30559 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
NNMT P40261 1/20 0.34
ACACB O00763 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
SCHEMBL17262997 0.90 ADRB3 (0.38) ADRB3NR3C1KCNK3KMT2AMEN1
SCHEMBL13719466 0.90 ADRB3 (0.38) ADRB3NR3C1KCNK3KMT2AMEN1
SCHEMBL15914068 0.80 NR3C1 (0.34) ADRB3NR3C1KMT2AMEN1CHRNA7
SCHEMBL15914067 0.80 NR3C1 (0.34) ADRB3NR3C1KMT2AMEN1CHRNA7
SCHEMBL7018373 0.77 NNMT (0.42) NR3C1KCNK3KMT2AMEN1CHRNA7
SCHEMBL13829314 0.77 NNMT (0.42) NR3C1KCNK3KMT2AMEN1CHRNA7
SCHEMBL20139059 0.76 KCNK3 (0.43) ADRB3KCNK3KMT2AMEN1CHRNA7
SCHEMBL7015928 0.74 ITGB1 (0.46) ADRB3KCNK3KMT2AMEN1CHRNA7
SCHEMBL7015933 0.74 ITGB1 (0.46) ADRB3KCNK3KMT2AMEN1CHRNA7
SCHEMBL18031589 0.72 SMN1; SMN2 (0.41) KMT2AMEN1KDM4EALDH1A1POLB

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-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 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-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 ADRB3 938/4885NR3C1 1071/4885KCNK3 1384/4885

“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.