SCHEMBL1885707

SCHEMBL1885707

CCCNC[C@H]1COc2c(Cl)cc(S(C)(=O)=O)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ESR2 Q92731 1/20 0.48
CA2 P00918 7/20 0.41
HTR6 P50406 1/20 0.37
ADRA1D P25100 5/20 0.37
ADRA1A P35348 5/20 0.37
ADRA1B P35368 5/20 0.37
CA1 P00915 2/20 0.37
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1020197 0.93 POLB (0.41) POLBESR2CA2HTR6ADRA1D
SCHEMBL1019793 0.91 CA2 (0.43) POLBESR2CA2HTR6ADRA1D
SCHEMBL1081607 0.90 CA2 (0.40) POLBESR2CA2HTR6ADRA1D
SCHEMBL1019903 0.90 CA2 (0.40) POLBESR2CA2HTR6ADRA1D
SCHEMBL1887040 0.88 ADRA1D (0.43) CA2ADRA1DADRA1AADRA1BCA1
SCHEMBL1887026 0.88 CA2 (0.39) POLBESR2CA2HTR6ADRA1D
SCHEMBL1879405 0.86 POLB (0.48) POLBESR2CA2HTR6ADRA1D
SCHEMBL1082876 0.86 POLB (0.48) POLBESR2CA2HTR6ADRA1D
SCHEMBL1885285 0.86 HTR6 (0.50) CA2HTR6ADRA1DADRA1AADRA1B
SCHEMBL1018443 0.85 CA2 (0.40) POLBESR2CA2HTR6ADRA1D

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 3143/4885CA2 3728/4885

“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.