SCHEMBL1880435

SCHEMBL1880435

OCCNCC1COc2ccc(F)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
DRD2 P14416 3/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
POLB P06746 1/20 0.49
ESR2 Q92731 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
AIMP2 Q13155 1/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
HPGD P15428 1/20 0.44
HTR1A P08908 4/20 0.44
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL1041242 0.83 HPGD (0.47) CA2DRD2DRD4DRD3POLB
SCHEMBL29481769 0.81 CA2 (0.51) CA2DRD2DRD4DRD3AIMP2
SCHEMBL1043824 0.81 CA2 (0.51) CA2DRD2DRD4DRD3AIMP2
SCHEMBL29444757 0.81 CA2 (0.51) CA2DRD2DRD4DRD3AIMP2
SCHEMBL1043944 0.81 CA2 (0.51) CA2DRD2DRD4DRD3AIMP2
SCHEMBL1042558 0.80 CA2 (0.41) CA2DRD2DRD4DRD3POLB
SCHEMBL1019984 0.79 HTR6 (0.54) CA2DRD2DRD4DRD3POLB
SCHEMBL28724712 0.76 DRD2 (0.56) CA2DRD2DRD4DRD3POLB
SCHEMBL28723917 0.76 DRD2 (0.56) CA2DRD2DRD4DRD3POLB
SCHEMBL1874665 0.76 POLB (0.52) DRD2DRD4DRD3POLBESR2

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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 CA2 3728/4885DRD2 4/4885DRD4 7/4885

“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.