SCHEMBL4359773

SCHEMBL4359773

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
SSTR4 P31391 5/20 0.39
SSTR1 P30872 4/20 0.39
GAA P10253 2/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.37
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL4364904 1.00 BTK (0.42) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL4364906 1.00 BTK (0.42) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL4359769 1.00 BTK (0.42) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL16095512 0.95 BTK (0.42) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL8231633 0.88 GAA (0.41) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL31340340 0.85 BTK (0.49) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL4365082 0.84 SSTR4 (0.49) BTKSSTR4SSTR1GAAEPHX2
SCHEMBL4369925 0.84 SSTR4 (0.49) BTKSSTR4SSTR1GAAEPHX2
SCHEMBL22199265 0.84 BTK (0.41) BTKSSTR4SSTR1GAAKDM1A
SCHEMBL1457503 0.84 BTK (0.41) BTKSSTR4SSTR1GAAKDM1A

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 420/4885SSTR4 4163/4885SSTR1 4317/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885SSTR4 1692/4885SSTR1 679/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885SSTR4 1692/4885SSTR1 679/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885SSTR4 1692/4885SSTR1 679/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885SSTR4 1472/4885SSTR1 620/4885

“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.