SCHEMBL1019505

SCHEMBL1019505

CC1CCCN(C[C@@H]2COc3ccc(S(C)(=O)=O)cc3O2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.42
FFAR1 O14842 1/20 0.42
KDM2B Q8NHM5 1/20 0.40
CA2 P00918 1/20 0.39
DRD2 P14416 2/20 0.39
POLB P06746 1/20 0.39
DRD3 P35462 1/20 0.38

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
SCHEMBL1884055 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1020671 0.88 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1021620 0.87 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1879138 0.87 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1879153 0.87 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1885892 0.81 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567932 0.81 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567424 0.76 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL16658447 0.75 HTR6 (0.53) MEN1KMT2AHTR6FFAR1CA2
SCHEMBL3148891 0.74 HTR6 (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
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
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO 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 ADRA2A 48/4885ADRA2B 78/4885ADRA2C 29/4885

“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.