SCHEMBL1885285

SCHEMBL1885285

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CA2 P00918 10/20 0.44
CA1 P00915 1/20 0.39
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.35
AQP1 P29972 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL1019793 0.88 CA2 (0.43) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1888667 0.87 EZH2 (0.44) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1885707 0.86 POLB (0.48) HTR6CA2CA1LMNAMEN1
SCHEMBL1884064 0.85 HTR6 (0.50) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1882531 0.85 HTR6 (0.50) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1081607 0.85 CA2 (0.40) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1019903 0.85 CA2 (0.40) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1018443 0.85 CA2 (0.40) HTR6CA2CA1LMNAALDH1A1
SCHEMBL1884497 0.85 CA2 (0.40) HTR6CA2CA1LMNAMEN1
SCHEMBL1883681 0.85 CA2 (0.38) HTR6CA2CA1BRD4

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 HTR6 111/4885CA2 3728/4885CA1 4449/4885

“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.