SCHEMBL741366

SCHEMBL741366

CN(C)C1CCc2sc(Cl)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
DRD4 P21917 1/20 0.35
DRD1 P21728 1/20 0.34
HTR1A P08908 8/20 0.33
HTR7 P34969 8/20 0.33
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL765150 0.88 DRD2 (0.44) DRD2DRD3DRD4DRD1HTR1A
SCHEMBL4083277 0.74 DRD2 (0.37) DRD2DRD3DRD4DRD1CHRM3
SCHEMBL740636 0.73 DRD2 (0.36) DRD2DRD3DRD4DRD1CHRM3
Lithium Ion SCHEMBL743158 0.72 DRD2 (0.33) DRD2DRD3DRD4DRD1CHRM3
SCHEMBL1504204 0.71 DRD2 (0.39) DRD2DRD3
SCHEMBL12761311 0.69 DRD2 (0.46) DRD2DRD3DRD4DRD1HTR1A
SCHEMBL7322498 0.68 DRD3 (0.67) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL6032194 0.68 DRD3 (0.67) DRD2DRD3DRD4HTR1AHTR7
Hydrochloric Acid SCHEMBL31563867 0.67 DRD2 (0.46) DRD2DRD3DRD4DRD1HTR1A
Hydrochloric Acid SCHEMBL7318892 0.67 DRD3 (0.65) DRD2DRD3DRD4HTR1AHTR7

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 9 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-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 702/4885DRD3 713/4885DRD4 331/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 DRD2 702/4885DRD3 713/4885DRD4 331/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 DRD2 294/4885DRD3 283/4885DRD4 268/4885

“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.