SCHEMBL6209405

SCHEMBL6209405

CCN1CCN(c2cc(Br)c3c(c2)Sc2cccn2C=C3)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
GAA P10253 2/20 0.36
RAD52 P43351 2/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR2A P28223 1/20 0.34
KDM1A O60341 2/20 0.33
TP53 P04637 2/20 0.32
HTR6 P50406 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KHK P50053 1/20 0.30

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
SCHEMBL6208972 0.88 DRD3 (0.46) GAAMAPTKDM4EDRD2DRD3
SCHEMBL6212074 0.75 DRD3 (0.46) DRD2DRD3HTR2A
SCHEMBL6209400 0.70 DRD3 (0.55) CHRNA7MAPTDRD2DRD3HTR2A
SCHEMBL6208852 0.68 DRD3 (0.48) GAAMAPTKDM4ESMN1; SMN2DRD2
SCHEMBL6210789 0.66 DRD3 (0.55) MAPTSMN1; SMN2DRD2DRD3HTR2A
SCHEMBL7489956 0.62 KDM1A (0.30) KDM1A
SCHEMBL18741400 0.60 CHRNA7 (0.62) CHRNA7GAARAD52MAPTKDM4E
SCHEMBL578273 0.59 GAA (0.67) CHRNA7GAARAD52MAPTKDM4E
SCHEMBL10819408 0.58 KCNH2 (0.71) CHRNA7GAARAD52MAPTKDM4E
SCHEMBL30563617 0.58 KCNH2 (0.71) CHRNA7GAARAD52MAPTKDM4E

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 CHRNA7 498/4885GAA 1473/4885RAD52 4809/4885

“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.