SCHEMBL1503732

SCHEMBL1503732

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.60
KMT2A Q03164 2/20 0.41
KDM1A O60341 2/20 0.40
MAOB P27338 2/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
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
SCHEMBL2712507 1.00 BTK (0.60) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL2712508 1.00 BTK (0.60) BTKKMT2AKDM1AMAOBNFKB1
Oxalic Acid SCHEMBL4114505 0.97 BTK (0.57) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL3300666 0.88 BTK (0.47) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL4362967 0.88 BTK (0.64) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL4359099 0.88 BTK (0.64) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL15796249 0.88 BTK (0.63) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL15078163 0.87 BTK (0.46) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL4114507 0.87 BTK (0.46) BTKKMT2AKDM1AMAOBNFKB1
SCHEMBL16664806 0.87 BTK (0.46) BTKKMT2AKDM1AMAOBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018011823-A1 SALT OF AMINE-PROTECTED (1S,2R,4S)-1,2-AMINO-N,N-DIMETHYLCYCLOHEXANE-4-CARBOXAMIDE MYLAN LABORATORIES LIMITED (IN) 2018-01-18 WO disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
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
EP-1415992-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-05-02 EP disclosed
EP-1415992-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-05-02 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
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-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 US disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 EP 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 (8 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-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME TFPI, F2, SERPINC1 BTK 1647/4885KMT2A 3202/4885KDM1A 3337/4885
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-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KMT2A 3485/4885KDM1A 3565/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1117/4885KMT2A 3179/4885KDM1A 3445/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BTK 420/4885KMT2A 1453/4885KDM1A 1134/4885
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.