SCHEMBL15079677

SCHEMBL15079677

CN[C@H]1CC[C@H](C(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ KDM1A O60341 2/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CTSK P43235 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL15079723 1.00 BTK (0.42) BTKKDM1AGAAMAOBMAOA
SCHEMBL2709810 0.88 BTK (0.44) BTKKDM1AGAAMAOBMAOA
SCHEMBL2709814 0.88 BTK (0.44) BTKKDM1AGAAMAOBMAOA
SCHEMBL16664835 0.88 BTK (0.41) BTKKDM1AGAAMAOBMAOA
SCHEMBL764528 0.86 BTK (0.43) BTKKDM1AGAAMAOBMAOA
SCHEMBL12508020 0.86 BTK (0.43) BTKKDM1AGAAMAOBMAOA
SCHEMBL12507941 0.86 BTK (0.43) BTKKDM1AGAAMAOBMAOA
SCHEMBL10015599 0.85 BTK (0.43) BTKKDM1AGAAMAOBMAOA
SCHEMBL31084800 0.85 BTK (0.46) BTKKDM1AGAAMAOBMAOA
SCHEMBL31084801 0.85 BTK (0.46) BTKKDM1AGAAMAOBMAOA

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-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 — — 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-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT TFPI, F12, TFPI2 BTK 235/4885KDM1A 317/4885GAA 1229/4885

“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.

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