SCHEMBL946700

SCHEMBL946700

Brc1ccc2[nH]cc(CN3CCN(c4ccccn4)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
HTR1A P08908 3/20 0.52
DRD4 P21917 6/20 0.52
DRD2 P14416 5/20 0.51
USP2 O75604 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
BCHE P06276 1/20 0.50
CYP2D6 P10635 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL946337 0.86 LMNA (0.77) LMNAPOLBTSHRHTTDRD4
SCHEMBL946686 0.84 LMNA (0.59) LMNAPOLBTSHRHTTHTR1A
SCHEMBL5382639 0.78 DRD4 (0.76) LMNAPOLBTSHRHTR1ADRD4
SCHEMBL947562 0.77 MPO (0.71) HTR1ADRD4DRD2KMT2ABCHE
SCHEMBL4775148 0.77 DRD2 (0.62) LMNAPOLBTSHRHTTHTR1A
Fluorobenzene SCHEMBL27933272 0.74 POLB (0.48) LMNAPOLBTSHRHTTHTR1A
SCHEMBL4319247 0.73 ALDH1A1 (0.72) LMNAPOLBTSHRHTTDRD4
SCHEMBL8328042 0.73 DRD4 (0.67) LMNAPOLBTSHRHTR1ADRD4
SCHEMBL5198113 0.72 DRD2 (0.80) LMNAPOLBTSHRHTTDRD4
SCHEMBL27989606 0.72 HTR1A (0.69) HTR1A

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 LMNA 2304/4885POLB 3987/4885TSHR 168/4885

“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.