SCHEMBL4367463

SCHEMBL4367463

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL17961679 1.00 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL4367460 1.00 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL13378898 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL7269198 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL12096427 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL765258 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL4083324 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL3305502 0.94 BTK (0.46) BTKKDM1AMAOBGAANFKB1
SCHEMBL30565029 0.84 BTK (0.55) BTKKDM1AMAOBGAANFKB1
SCHEMBL1988095 0.84 BTK (0.47) BTKKDM1AMAOBGAANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (5 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885KDM1A 1134/4885MAOB 161/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885KDM1A 3462/4885MAOB 2497/4885

“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.