SCHEMBL947539

SCHEMBL947539

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.71
HTR6 P50406 1/20 0.66
GPR84 Q9NQS5 1/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
DRD4 P21917 2/20 0.56
ALDH1A1 P00352 2/20 0.54
BCHE P06276 1/20 0.54
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR1A P08908 3/20 0.53
TBXAS1 P24557 1/20 0.52
SOS1 Q07889 1/20 0.52
HTR2A P28223 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
HTR1D P28221 1/20 0.50
HTR1B P28222 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
SCHEMBL5197968 0.87 LMNA (0.61) MPOGPR84DRD2DRD3DRD4
SCHEMBL22584707 0.84 GPR84 (0.58) MPOGPR84DRD2DRD3DRD4
SCHEMBL5197105 0.84 DRD2 (0.77) MPOHTR6GPR84DRD2DRD3
SCHEMBL947562 0.83 MPO (0.71) MPOHTR6GPR84DRD2DRD3
SCHEMBL19252842 0.83 MPO (0.71) MPOHTR6DRD2DRD3DRD4
SCHEMBL13499605 0.83 MPO (1.00) MPOHTR6GPR84DRD2DRD3
SCHEMBL947201 0.81 HTR1A (0.69) MPOHTR6GPR84DRD2DRD3
SCHEMBL948662 0.80 HTR6 (1.00) MPOHTR6DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL28260331 0.78 HTR6 (0.97) MPOHTR6DRD2DRD3DRD4
SCHEMBL945607 0.78 MPO (0.64) MPOHTR6ALDH1A1BCHECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 US disclosed
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 (2 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 12/4885GPR84 720/4885
US-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 MPO 4733/4885HTR6 4165/4885GPR84 2748/4885

“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.