SCHEMBL1503741

SCHEMBL1503741

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ KDM1A O60341 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EPHX1 P07099 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
SCHEMBL1503774 0.85 BTK (0.40) BTKKDM1AMAOBRORCCTSK
SCHEMBL14100893 0.80 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL18901529 0.80 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL2943335 0.79 RORC (0.38) BTKKDM1AMAOBRORCCTSK
SCHEMBL6418270 0.77 BTK (0.51) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL24623231 0.76 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL21184415 0.76 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL27343830 0.76 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL556948 0.76 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1
SCHEMBL19932164 0.76 BTK (0.49) BTKKDM1AMAOBCTSKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (4 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-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1117/4885KDM1A 3445/4885MAOB 2668/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BTK 420/4885KDM1A 1134/4885MAOB 161/4885

“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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