SCHEMBL741443

SCHEMBL741443

CC(C)N1CCC(C(=O)O)CC1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
LTA4H P09960 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL1874567 0.98 HRH3 (0.45) HRH3LMNAALDH1A1MAPTKCNH2
Hydrochloric Acid SCHEMBL2947548 0.96 HRH3 (0.44) HRH3LMNAALDH1A1MAPTKCNH2
SCHEMBL28785125 0.96 HRH3 (0.44) HRH3LMNAALDH1A1MAPTKCNH2
SCHEMBL17789654 0.90 HRH3 (0.42) HRH3LMNAALDH1A1MAPTKCNH2
SCHEMBL16000467 0.87 HRH3 (0.56) HRH3LMNAALDH1A1KCNH2CYP2D6
SCHEMBL12258806 0.85 MAPT (0.44) HRH3LMNAALDH1A1MAPT
SCHEMBL12259250 0.85 MAPT (0.44) HRH3LMNAALDH1A1MAPT
SCHEMBL7882719 0.85 MAPT (0.44) HRH3LMNAALDH1A1MAPT
SCHEMBL28104621 0.83 LMNA (0.43) LMNAALDH1A1MAPTKDM4EUSP2
SCHEMBL28298138 0.82 HRH3 (0.46) HRH3ALDH1A1KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S HRH3 75/4885LMNA 1968/4885ALDH1A1 4310/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HRH3 433/4885LMNA 814/4885ALDH1A1 2105/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 HRH3 433/4885LMNA 814/4885ALDH1A1 2105/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HRH3 1029/4885LMNA 868/4885ALDH1A1 2109/4885

“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.