SCHEMBL1887658

SCHEMBL1887658

CCCNCC1COc2ccc(S(C)(=O)=O)cc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
ESR2 Q92731 1/20 0.61
HTR6 P50406 1/20 0.55
CA2 P00918 7/20 0.49
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.44
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 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
SCHEMBL1082298 1.00 POLB (0.61) POLBESR2HTR6CA2CA1
SCHEMBL1081653 1.00 POLB (0.61) POLBESR2HTR6CA2CA1
SCHEMBL1080021 0.93 HTR6 (0.53) POLBESR2HTR6CA2CA1
SCHEMBL1879816 0.90 HTR6 (0.57) POLBESR2HTR6CA2CA1
SCHEMBL1884972 0.90 HTR6 (0.57) POLBESR2HTR6CA2CA1
SCHEMBL1019984 0.89 HTR6 (0.54) POLBESR2HTR6CA2CA1
SCHEMBL1886808 0.87 HTR6 (0.52) POLBESR2HTR6CA2CA1
SCHEMBL1888021 0.87 HTR6 (0.52) POLBESR2HTR6CA2CA1
SCHEMBL1893732 0.86 POLB (0.56) POLBESR2HTR6CA2CA1
SCHEMBL1081749 0.85 HTR6 (0.73) HTR6CA2CA1LMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP claimed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US claimed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 POLB 4159/4885ESR2 3143/4885HTR6 111/4885

“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.