SCHEMBL5437532

SCHEMBL5437532

CN1CCc2cc(N)cc(Br)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
ADRA2C P18825 2/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
DRD5 P21918 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A4 P31645 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
SCHEMBL24040089 0.89 MAOA (0.40) DRD2DRD1ADRA2CADRA2AADRA2B
SCHEMBL29557955 0.89 MAOA (0.40) DRD2DRD1ADRA2CADRA2AADRA2B
SCHEMBL20214765 0.89 MAOA (0.40) DRD2DRD1CYP2D6GAAMAPT
SCHEMBL24688300 0.79 ADRA2C (0.38) DRD2DRD1ADRA2CADRA2ACYP2D6
SCHEMBL5438396 0.78 ADRA2A (0.53) DRD2DRD1ADRA2CADRA2ACYP2D6
SCHEMBL10350483 0.76 DRD1 (0.53) DRD2DRD1CYP2D6MAOAMAOB
SCHEMBL31288427 0.76 MAPT (0.42) GAAMAPT
SCHEMBL26694713 0.76 MAPT (0.42) GAAMAPT
SCHEMBL5785782 0.74 ESR1 (0.44)
SCHEMBL29310333 0.73 MAOA (0.41) DRD2DRD1CYP2D6ADRA1DADRA1A

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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
EP-1503989-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-09 EP disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 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 (2 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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 DRD2 25/4885DRD1 34/4885ADRA2C 74/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 DRD2 45/4885DRD1 33/4885ADRA2C 120/4885

“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.