SCHEMBL741902

SCHEMBL741902

CC(C)(C)N1CCc2nc(C(=O)O)sc2C1.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 3/20 0.36
F10 P00742 12/20 0.35
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL4083218 0.99 NPC1 (0.37) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL743524 0.87
SCHEMBL12631317 0.85 KDM4E (0.30) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL12035227 0.85 NPC1 (0.39) NPC1RAB9AGAAKDM4EALDH1A1
Lithium Ion SCHEMBL741901 0.84 F10 (0.34) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL15044996 0.81 F10 (0.33) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL207703 0.81 F10 (0.49) KDM4EALDH1A1GRM5F10RAD52
SCHEMBL1251008 0.79 F10 (0.50) KDM4EALDH1A1GRM5F10RAD52
Lithium SCHEMBL30832626 0.78 F10 (0.49) KDM4EALDH1A1GRM5F10RAD52
SCHEMBL210375 0.78 ADORA1 (0.54) NPC1RAB9AKDM4EGRM5F10

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-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
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
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 NPC1 3135/4885RAB9A 3871/4885GAA 4796/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 NPC1 2819/4885RAB9A 3604/4885GAA 4312/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 NPC1 2819/4885RAB9A 3604/4885GAA 4312/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 NPC1 3046/4885RAB9A 2158/4885GAA 4278/4885

“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.