SCHEMBL946692

SCHEMBL946692

Cc1[nH]c2ccc(F)cc2c1CN1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.59
KDM4E B2RXH2 7/20 0.55
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
POLB P06746 2/20 0.46
TNKS O95271 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
HSD17B10 Q99714 6/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HPGD P15428 2/20 0.45
CHIA Q9BZP6 1/20 0.44
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL945973 0.84 ALDH1A1 (0.65) KDM4EDRD2DRD4DRD3POLB
SCHEMBL1719869 0.83 TNKS (0.55) MPOKDM4EDRD2DRD4DRD3
SCHEMBL949053 0.81 POLB (0.64) MPODRD2DRD4DRD3POLB
SCHEMBL5370125 0.81 MPO (0.53) MPOKDM4EDRD2DRD4DRD3
SCHEMBL5375330 0.80 MPO (0.52) MPOKDM4EDRD2DRD4DRD3
SCHEMBL5370003 0.80 MPO (0.52) MPOKDM4EDRD2DRD4DRD3
SCHEMBL946711 0.80 MAPT (0.67) KDM4EDRD2DRD4DRD3POLB
SCHEMBL5419427 0.78 OPRM1 (0.47) KDM4EDRD2DRD4DRD3POLB
SCHEMBL11828871 0.78 LMNA (0.52) MPODRD2DRD4DRD3
SCHEMBL5333420 0.78 MPO (0.47) MPOKDM4EDRD2DRD4DRD3

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 4766/4885KDM4E 3995/4885DRD2 89/4885

“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.