SCHEMBL6208249

SCHEMBL6208249

CN1CCN(C2=Cn3cccc3Sc3ccc(F)cc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.72
DRD2 P14416 2/20 0.72
HTR2A P28223 1/20 0.72
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM1 P11229 1/20 0.40
HRH1 P35367 1/20 0.40
PAK1 Q13153 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL6208140 0.86 DRD2 (0.72) DRD3DRD2HTR2AMAPTHPGD
SCHEMBL6208967 0.86 DRD3 (0.72) DRD3DRD2HTR2ALMNACHRM1
SCHEMBL3290253 0.86 DRD2 (0.52) DRD3DRD2HTR2A
SCHEMBL3286899 0.84 DRD3 (1.00) DRD3DRD2HTR2ACHRM1
SCHEMBL6210382 0.82 DRD2 (0.66) DRD3DRD2HTR2AMAPTHPGD
SCHEMBL4915492 0.75 DRD3 (1.00) DRD3DRD2HTR2A
SCHEMBL6209400 0.74 DRD3 (0.55) DRD3DRD2HTR2AMAPTTP53
SCHEMBL6210789 0.74 DRD3 (0.55) DRD3DRD2HTR2AMAPTLMNA
SCHEMBL10873398 0.73 MAPT (0.68) DRD2MAPTHPGDLMNATP53
SCHEMBL11762226 0.72 TP53 (0.60) DRD2MAPTHPGDLMNATP53

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 7 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 claimed
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 claimed
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
EP-1307463-A1 PYRROLO 2,1-B]-[1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2003-05-07 EP disclosed
WO-2002010175-A1 PYRROLO[2,1-b][1,3]BENZOTHIAZEPINES AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS WITH ANTIPSYCHOTIC ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-02-07 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-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.