SCHEMBL7495367

SCHEMBL7495367

Fc1ccc2c(c1)C(Br)Cn1cccc1S2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
ADRA2A P08913 3/20 0.34
DRD2 P14416 3/20 0.34
ADRA2C P18825 3/20 0.34
DRD1 P21728 3/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR7 P34969 3/20 0.34
HRH1 P35367 3/20 0.34
DRD3 P35462 3/20 0.34

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
SCHEMBL7492940 0.83 SLC6A3 (0.44) SLC6A3ADRA2ADRD2ADRA2CDRD1
SCHEMBL7495913 0.81 SLC6A3 (0.42) SLC6A3ADRA2ADRD2DRD1HTR2A
SCHEMBL3285100 0.76 SLC6A3 (0.56) SLC6A3DRD2
SCHEMBL7490563 0.76 SLC6A3 (0.76) SLC6A3DRD2HTR2CHRH1
SCHEMBL7493500 0.72 SLC6A3 (0.57) SLC6A3
SCHEMBL7494600 0.69 SLC6A3 (0.44) SLC6A3
SCHEMBL7544150 0.67 SLC6A3 (0.61) SLC6A3DRD2HTR2CHRH1
SCHEMBL6638545 0.66 SLC6A3 (0.42) SLC6A3ADRA2ADRD2DRD1HTR2A
SCHEMBL3286314 0.61 SLC6A3 (0.76) SLC6A3DRD2HTR2CHRH1
SCHEMBL3285187 0.61 SLC6A3 (0.76) SLC6A3DRD2HTR2CHRH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100803-B1 PYRROLO [2,1-B] [1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2002-10-02 EP disclosed
US-6391870-B2 DOPAMINERGIC AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-05-21 US disclosed
US-20020006921-A1 Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-01-17 US disclosed
EP-1100803-A2 PYRROLO 2,1-B] 1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006579-A2 PYRROLO[2,1-B][1,3]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-02-10 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-20020006921-A1 Pyrrolo {2,1-b}{1,3}benzothiazepines with atypical antipsychotic activity GABRE, GRIN2B, DRD1 SLC6A3 155/4885ADRA2A 778/4885DRD2 6/4885

“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.