SCHEMBL9935790

SCHEMBL9935790

CN1CCOC(CCC2CN(C)CCO2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 4/20 0.40
DRD4 P21917 5/20 0.35
ACKR3 P25106 2/20 0.35
PDK1 Q15118 4/20 0.33
CYP2D6 P10635 4/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
EPHX1 P07099 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL9935682 0.91 HRH3 (0.39) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL23645216 0.89 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL21890591 0.89 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL10171697 0.89 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
Hydrochloric Acid SCHEMBL28607085 0.87 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL6442154 0.87 HRH3 (0.40) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL8161167 0.87 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL7818386 0.87 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL15792164 0.87 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1
SCHEMBL8160804 0.87 HRH3 (0.38) HRH3SLC6A2DRD4ACKR3PDK1

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 2 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
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 HRH3 1929/4885SLC6A2 3252/4885DRD4 1086/4885

“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.