SCHEMBL947733

SCHEMBL947733

COc1ccc2[nH]cc(CCl)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.76
HTR2B P41595 3/20 0.71
HTR2A P28223 6/20 0.68
HTR1A P08908 4/20 0.68
HTR2C P28335 3/20 0.68
CYP2D6 P10635 2/20 0.68
CYP1A2 P05177 2/20 0.68
HTR1D P28221 2/20 0.68
HTR1B P28222 2/20 0.68
HTR7 P34969 2/20 0.68
HTR6 P50406 2/20 0.68
HTR4 Q13639 2/20 0.68
MAPT P10636 2/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.68
NPSR1 Q6W5P4 2/20 0.66
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL5431365 0.86 GPR84 (1.00) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL178561 0.85 GPR84 (0.78) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL8558403 0.84 SLC6A4 (0.71) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL3976318 0.83 HTR2B (1.00) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL217937 0.83 GPR84 (0.76) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL1723383 0.83 CYP2D6 (0.77) GPR84HTR2BHTR2AHTR1AHTR2C
5-Methoxytryptamine SCHEMBL28309973 0.83 HTR1A (0.91) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL8555709 0.83 SLC6A4 (0.69) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL8252894 0.82 HTR2A (0.76) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL10854107 0.81 GPR84 (0.62) GPR84HTR2BHTR2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 GPR84 720/4885HTR2B 13/4885HTR2A 5/4885

“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.