SCHEMBL947562

SCHEMBL947562

CN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.71
HTR6 P50406 1/20 0.66
HTR1A P08908 4/20 0.65
GPR84 Q9NQS5 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
BCHE P06276 1/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2A P28223 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
SLC6A4 P31645 3/20 0.50
CSNK2A1 P68400 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL27836165 0.88 HTR1A (0.76) MPOHTR1AGPR84HTR2ATRPM8
SCHEMBL27914673 0.84 MPO (0.59) MPOHTR6HTR1AASIC3BCHE
SCHEMBL947539 0.83 MPO (0.71) MPOHTR6HTR1AGPR84BCHE
SCHEMBL19252842 0.83 MPO (0.71) MPOHTR6HTR1ABCHECYP2D6
SCHEMBL13499605 0.83 MPO (1.00) MPOHTR6HTR1AGPR84BCHE
SCHEMBL947201 0.81 HTR1A (0.69) MPOHTR6HTR1AGPR84ASIC3
SCHEMBL948662 0.80 HTR6 (1.00) MPOHTR6HTR1ABCHECYP2D6
SCHEMBL4775148 0.79 DRD2 (0.62) HTR6HTR1AMEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL28260331 0.78 HTR6 (0.97) MPOHTR6HTR1ABCHECYP2D6
SCHEMBL945607 0.78 MPO (0.64) MPOHTR6BCHECYP2D6MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1720225-B N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD 2011-05-18 CN disclosed
US-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
CN-101544592-A N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LTD (IN) 2009-09-30 CN disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US disclosed
CN-1720225-A N-arylsulfonyl-3-substituted indoles having 5-hydroxytryptamine receptor affinity, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LTD (IN) 2006-01-11 CN 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C MPO 4766/4885HTR6 12/4885HTR1A 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.