SCHEMBL1879004

SCHEMBL1879004

CCCNCC1COc2ccc(F)c(F)c2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
ADRA1D P25100 13/20 0.48
ADRA1A P35348 13/20 0.48
ADRA1B P35368 13/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTR1A P08908 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 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
SCHEMBL1019956 0.85 POLB (0.67) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1871794 0.78 POLB (0.63) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1043746 0.76 L3MBTL1 (0.35) ADRA1DADRA1AADRA1BHTR1ATSHR
SCHEMBL6978317 0.76 L3MBTL1 (0.35) ADRA1DADRA1AADRA1BHTR1ATSHR
SCHEMBL10864903 0.75 POLB (0.97) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1019856 0.74 ADRA1D (0.60) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1873324 0.74 POLB (0.54) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1885058 0.73 CA2 (0.40) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL1875773 0.72 POLB (0.62) POLBESR2ADRA1DADRA1AADRA1B
SCHEMBL6104984 0.72 POLB (0.62) POLBESR2ADRA1DADRA1AADRA1B

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 1 patent. 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 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 POLB 4159/4885ESR2 3143/4885ADRA1D 30/4885

“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.