SCHEMBL1884497

SCHEMBL1884497

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA1 P00915 1/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 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 0.87 CA2 (0.43) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1887847 0.87 CA2 (0.43) CA2HTR1AHTR7HTR6KDM4E
SCHEMBL1888667 0.86 EZH2 (0.44) CA2HTR6KDM4ECA1MEN1
SCHEMBL1885707 0.85 POLB (0.48) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1885285 0.85 HTR6 (0.50) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1019903 0.84 CA2 (0.40) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1081607 0.84 CA2 (0.40) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1018443 0.84 CA2 (0.40) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1019906 0.83 CA2 (0.40) CA2HTR6CA1ADRA1DADRA1A
SCHEMBL1020197 0.83 POLB (0.41) CA2HTR6CA1ADRA1DADRA1A

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 CA2 3728/4885HTR1A 54/4885HTR7 129/4885

“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.