SCHEMBL6209833

SCHEMBL6209833

CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.58
DRD2 P14416 2/20 0.58
HTR2A P28223 1/20 0.58
DRD4 P21917 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
SETD7 Q8WTS6 1/20 0.37

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
SCHEMBL6210142 0.83 DRD3 (0.53) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL6208232 0.83 DRD3 (0.63) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL6209665 0.79 DRD3 (0.58) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL3286899 0.74 DRD3 (1.00) DRD3DRD2HTR2ACHRM2HTR1A
SCHEMBL3285988 0.69 DRD2 (0.46) DRD3DRD2HTR2AHTR1ACYP2D6
SCHEMBL6001718 0.65 DRD2 (0.52) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL8579211 0.63 MAPT (0.51) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL8574302 0.62 MAPT (0.49) DRD3DRD2HTR2ADRD4HRH4
SCHEMBL6002212 0.62 DRD2 (0.49) DRD3DRD2HTR2ADRD4CHRM2
SCHEMBL8508257 0.61 DRD2 (0.49) DRD3DRD2HTR2ADRD4HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307463-B1 PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2005-01-26 EP disclosed
US-6710041-B2 Pyrrolo[2,1-B][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-03-23 US disclosed
US-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-10-02 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-20030186959-A1 Pyrrolo[2,1-b][3,1] benzothiazepines and their use for the preparation of medicaments with antipsychotic activity TPH1, GRIN2C, GRIN2B DRD3 92/4885DRD2 48/4885HTR2A 433/4885

“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.