SCHEMBL7494352

SCHEMBL7494352

CN1CCN(C2Cn3cccc3Sc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.74
HTR7 P34969 1/20 0.48
DRD2 P14416 3/20 0.46
HRH1 P35367 3/20 0.46
DRD4 P21917 2/20 0.46
HTR2C P28335 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL30978858 0.85 SLC6A3 (1.00) SLC6A3DRD2HRH1DRD4HTR2C
SCHEMBL3285765 0.85 SLC6A3 (1.00) SLC6A3DRD2HRH1DRD4HTR2C
SCHEMBL7491897 0.85 SLC6A3 (0.76) SLC6A3DRD2HRH1DRD4HTR2C
SCHEMBL7490563 0.85 SLC6A3 (0.76) SLC6A3DRD2HRH1DRD4HTR2C
SCHEMBL3284936 0.84 SLC6A3 (0.54) SLC6A3TP53
SCHEMBL13359372 0.75 SLC6A3 (0.45) SLC6A3HTR7DRD2HRH1DRD4
SCHEMBL3837897 0.74 DRD2 (0.75) HTR7DRD2HRH1DRD4HTR2C
SCHEMBL7494831 0.74 SLC6A3 (0.42) SLC6A3DRD2TP53CYP2D6TSHR
SCHEMBL7495913 0.74 SLC6A3 (0.42) SLC6A3DRD2TP53CYP2D6TSHR
SCHEMBL29414105 0.74 DRD2 (0.75) HTR7DRD2HRH1DRD4HTR2C

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 10 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 claimed
US-6391870-B2 DOPAMINERGIC AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-05-21 US claimed
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 claimed
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 claimed
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 claimed
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 155/4885HTR7 521/4885DRD2 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.