SCHEMBL7497044

SCHEMBL7497044

CN1CCN(C2C=C(Br)C3=C(C2)Sc2cccn2C=C3)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7490573 0.86 DRD3 (0.35) DRD3DRD2HTR2ASLC6A3
SCHEMBL3285770 0.86 SLC6A3 (0.36) DRD3DRD2HTR2ASLC6A3
SCHEMBL7498269 0.79
SCHEMBL7544161 0.66
SCHEMBL6208852 0.60 DRD3 (0.48) DRD3DRD2HTR2A
SCHEMBL3286899 0.52 DRD3 (1.00) DRD3DRD2HTR2ASLC6A3
SCHEMBL7494352 0.52 SLC6A3 (0.74) DRD2SLC6A3
SCHEMBL6001937 0.50 GRIN2B (0.56) DRD3DRD2HTR2A
SCHEMBL3583581 0.50 KDM4E (0.34)
SCHEMBL3837897 0.49 DRD2 (0.75) DRD2HTR2A

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 8 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-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 DRD3 67/4885DRD2 6/4885HTR2A 277/4885

“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.