SCHEMBL1044229

SCHEMBL1044229

Fc1ccc2c(c1)OC(CN1CCOCC1)CO2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.60
DRD2 P14416 2/20 0.59
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CA2 P00918 1/20 0.44

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
SCHEMBL1043285 0.89 ADRA2A (0.65) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL1042245 0.89 DRD2 (0.61) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL1871710 0.88 ADRA2A (0.68) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL14185683 0.82 HTR6 (0.50) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL3154311 0.82 HTR6 (0.50) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL1044694 0.81 ADRA2A (0.48) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL1872715 0.80 ADRA2A (0.41) LTA4HDRD2ADRA2AADRA2BADRA2C
SCHEMBL6075399 0.79 CHRNB4 (0.50) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1885892 0.79 ADRA2A (0.46) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL15865451 0.78 DRD2 (0.47) DRD2

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 4 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
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO 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 LTA4H 1989/4885DRD2 4/4885ADRA2A 48/4885

“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.