SCHEMBL9935145

SCHEMBL9935145

CCCN1CCOC(CCC2CN(CCC)CCO2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.47
DRD4 P21917 5/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD2 P14416 1/20 0.37

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
SCHEMBL24508741 0.94 DRD3 (0.46) DRD3DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL9935633 0.92 DRD3 (0.45) DRD3DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL2357921 0.89 EPHX1 (0.52) DRD3DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL9935047 0.89 EPHX1 (0.41) DRD3DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL25565643 0.88 DRD3 (0.51) DRD3DRD4DRD2
SCHEMBL25565642 0.88 DRD3 (0.51) DRD3DRD4DRD2
SCHEMBL9935115 0.88 DRD3 (0.47) DRD3DRD4
SCHEMBL9801156 0.88 DRD3 (0.51) DRD3DRD4DRD2
SCHEMBL25110254 0.88 DRD3 (0.42) DRD3DRD4CYP1A2CYP3A4CYP2D6
SCHEMBL25110755 0.88 DRD3 (0.42) DRD3DRD4CYP1A2CYP3A4CYP2D6

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 DRD3 812/4885DRD4 1086/4885CYP1A2 4011/4885

“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.