SCHEMBL1875773

SCHEMBL1875773

CCCNC[C@H]1COc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ESR2 Q92731 1/20 0.62
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ADRA1D P25100 7/20 0.42
ADRA1A P35348 7/20 0.42
ADRA1B P35368 7/20 0.42
CA2 P00918 1/20 0.42
HTR1A P08908 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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 0.88 HPGD (0.47) POLBESR2MEN1KMT2ALMNA
SCHEMBL1893732 0.80 POLB (0.56) POLBESR2MEN1KMT2ALMNA
SCHEMBL1871794 0.79 POLB (0.63) POLBESR2MEN1KMT2ADRD2
SCHEMBL10864903 0.78 POLB (0.97) POLBESR2MEN1KMT2ALMNA
SCHEMBL29353196 0.78 POLB (0.97) POLBESR2MEN1KMT2ALMNA
SCHEMBL909508 0.77 HTT (0.46) POLBMEN1KMT2ALMNAMAPT
SCHEMBL909936 0.77 HTT (0.46) POLBMEN1KMT2ALMNAMAPT
SCHEMBL909506 0.77 HTT (0.46) POLBMEN1KMT2ALMNAMAPT
SCHEMBL1081653 0.77 POLB (0.61) POLBESR2MEN1KMT2ALMNA
SCHEMBL1887658 0.77 POLB (0.61) POLBESR2MEN1KMT2ALMNA

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 POLB 4159/4885ESR2 3143/4885MEN1 3561/4885

“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.