SCHEMBL6208972

SCHEMBL6208972

CN1CCN(c2cc(Br)c3c(c2)Sc2cccn2C=C3)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA2C P18825 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PTK2B Q14289 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
SCHEMBL6209405 0.88 CHRNA7 (0.38) DRD3DRD2HTR2AKDM4EGAA
SCHEMBL6212074 0.87 DRD3 (0.46) DRD3DRD2HTR2AADRA2CHTR3A
SCHEMBL6208852 0.80 DRD3 (0.48) DRD3DRD2HTR2AADRA2CHTR3A
SCHEMBL6208967 0.68 DRD3 (0.72) DRD3DRD2HTR2AADRA2CHTR3A
SCHEMBL3285858 0.65 ADRB1 (0.40) DRD3DRD2HTR2AHTR3AMAPT
SCHEMBL6208249 0.64 DRD3 (0.72) DRD3DRD2HTR2AHTR3AGAA
SCHEMBL6208140 0.64 DRD2 (0.72) DRD3DRD2HTR2AADRA2CHTR3A
SCHEMBL3286899 0.63 DRD3 (1.00) DRD3DRD2HTR2ASLC6A3
SCHEMBL7497044 0.62 DRD3 (0.35) DRD3DRD2HTR2ASLC6A3
SCHEMBL6210382 0.61 DRD2 (0.66) DRD3DRD2HTR2AADRA2CHTR3A

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-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.