SCHEMBL4359099

SCHEMBL4359099

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.64
KMT2A Q03164 2/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.37
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.35
EPHX1 P07099 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
SCHEMBL4362967 1.00 BTK (0.64) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL4083645 0.88 BTK (0.50) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL3339807 0.88 BTK (0.50) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL3339805 0.88 BTK (0.50) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL1503739 0.88 BTK (0.50) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL10476730 0.88 BTK (0.50) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL2712508 0.88 BTK (0.60) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL2712507 0.88 BTK (0.60) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL1503732 0.88 BTK (0.60) BTKKMT2AKDM1AMAOBL3MBTL1
SCHEMBL15796249 0.88 BTK (0.63) BTKKMT2AKDM1AMAOBL3MBTL1

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 10 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-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 (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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885KMT2A 1453/4885KDM1A 1134/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KMT2A 3485/4885KDM1A 3565/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885KMT2A 3485/4885KDM1A 3565/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885KMT2A 3461/4885KDM1A 3462/4885

“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.