SCHEMBL1879143

SCHEMBL1879143

CCNCC1COc2c(F)cc(F)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
ADRA1D P25100 6/20 0.35
ADRA1A P35348 6/20 0.35
ADRA1B P35368 6/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
AIMP2 Q13155 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL1873324 0.89 POLB (0.54) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1875160 0.87 POLB (0.46) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1876054 0.86 CA2 (0.44) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1081154 0.85 CA2 (0.40) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1042558 0.84 CA2 (0.41) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1083037 0.83 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL1878734 0.83 SMN1; SMN2 (0.41) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1880014 0.83 CA2 (0.40) CA2POLBESR2ADRA1DADRA1A
SCHEMBL1080215 0.82 CA2 (0.46) CA2POLBESR2ALDH1A1HPGD
SCHEMBL1889166 0.82 CA2 (0.46) CA2POLBESR2ALDH1A1HPGD

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 CA2 3728/4885POLB 4159/4885ESR2 3143/4885

“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.