SCHEMBL9935237

SCHEMBL9935237

CCCCN1CCOC(CC2CN(CCCC)CCO2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.40
DRD3 P35462 5/20 0.39
SIGMAR1 Q99720 2/20 0.38
EBP Q15125 1/20 0.38
EPHX1 P07099 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
GBA1 P04062 1/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9935047 0.89 EPHX1 (0.41) GLB1DRD3SIGMAR1EBPEPHX1
SCHEMBL11576109 0.89 DRD3 (0.42) GLB1DRD3SIGMAR1EBPEPHX1
SCHEMBL9935115 0.89 DRD3 (0.47) DRD3DRD4
SCHEMBL9936176 0.87 EPHX1 (0.44) GLB1DRD3SIGMAR1EBPEPHX1
SCHEMBL10815638 0.84 EBP (0.44) DRD3SIGMAR1EBPEPHX1HTR1A
SCHEMBL15925095 0.83 GLB1 (0.36) GLB1DRD3SIGMAR1EBPEPHX1
SCHEMBL22494157 0.83 GLB1 (0.36) GLB1DRD3SIGMAR1EBPEPHX1
SCHEMBL8283682 0.83 SIGMAR1 (0.42) GLB1DRD3SIGMAR1EPHX1HTR1A
SCHEMBL5659819 0.82 EBP (0.47) DRD3SIGMAR1EBPEPHX1HTR1A
SCHEMBL22463761 0.82 EBP (0.47) DRD3SIGMAR1EBPEPHX1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US 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 (1 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 GLB1 2642/4885DRD3 812/4885SIGMAR1 413/4885

“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.