SCHEMBL4083277

SCHEMBL4083277

CN(C)C1CCc2sc(C(=O)O)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.35
CHRM3 P20309 1/20 0.34
PDK1 Q15118 1/20 0.33
ROCK2 O75116 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL740636 0.98 DRD2 (0.36) DRD2DRD1DRD3DRD4CHRM3
SCHEMBL12035209 0.90 DRD2 (0.41) DRD2DRD1DRD3PDK1ROCK2
SCHEMBL1503760 0.88 DRD2 (0.40) DRD2DRD1DRD3PDK1ROCK2
Lithium Ion SCHEMBL743158 0.85 DRD2 (0.33) DRD2DRD1DRD3DRD4CHRM3
Lithium Ion SCHEMBL1503758 0.75 DRD2 (0.39) DRD2DRD3PDK1ROCK2NPC1
SCHEMBL741366 0.74 DRD2 (0.35) DRD2DRD1DRD3DRD4CHRM3
Hydrochloric Acid SCHEMBL7315225 0.73 DRD3 (0.51) DRD2DRD3DRD4
SCHEMBL15078213 0.72 RAB9A (0.57) PDK1NPC1RAB9ASMN1; SMN2
SCHEMBL1504035 0.72 DRD2 (0.34) DRD2DRD3PDK1NPC1RAB9A
SCHEMBL15653322 0.70 RAB9A (0.49) PDK1NPC1RAB9ASMN1; SMN2

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 7 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
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 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
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 (3 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 DRD2 702/4885DRD1 496/4885DRD3 713/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 DRD2 702/4885DRD1 496/4885DRD3 713/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 DRD2 294/4885DRD1 281/4885DRD3 283/4885

“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.