SCHEMBL5480477

SCHEMBL5480477

CCN(CC)C(=O)COc1cccc2c(CC(C)N)c[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
SOS2 Q07890 1/20 0.52
ADRB3 P13945 7/20 0.51
ADRB1 P08588 6/20 0.51
ADRB2 P07550 4/20 0.51
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 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
SCHEMBL5480473 1.00 TSHR (0.53) TSHRSOS2ADRB3ADRB1ADRB2
SCHEMBL5859950 0.89 TSHR (0.51) TSHRSOS2ADRB3ADRB1ADRB2
SCHEMBL5857882 0.89 TSHR (0.51) TSHRSOS2ADRB3ADRB1ADRB2
SCHEMBL5485060 0.85 ADRB3 (0.54) TSHRADRB3ADRB1ADRB2BCHE
SCHEMBL5479233 0.85 ADRB3 (0.54) TSHRADRB3ADRB1ADRB2BCHE
SCHEMBL14527122 0.85 SOS2 (0.58) SOS2ADRB3ADRB1ADRB2HTR1A
SCHEMBL7604319 0.83 TSHR (0.52) TSHRADRB3ADRB1ADRB2HTR2A
SCHEMBL7867296 0.83 SOS2 (0.65) SOS2ADRB3ADRB1HTR1AADRA2A
SCHEMBL5479349 0.83 SOS2 (0.55) SOS2ADRB1HTR1AADRA2ASLC6A2
SCHEMBL7859267 0.83 ADRB3 (0.60) SOS2ADRB3ADRB1ADRB2HTR1A

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
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-7115412-B2 Process for the preparation of optically active 7-substituted-3-(2-aminopropyl)indole derivatives and intermediates therefor MERCIAN CORPORATION (JP) 2006-10-03 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP disclosed
US-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors MERCIAN CORPORATION (JP) 2003-09-25 US disclosed
EP-1275730-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 7-SUBSTITUTED-3-(2-AMINOPROPYL)INDOLE DERIVATIVES AND INTERMEDIATES FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2003-01-15 EP 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 TSHR 174/4885SOS2 4375/4885ADRB3 1/4885
US-20030181732-A1 Producing a tryptophan in the presence of a tryptophan-synthesizing enzyme originating in microorganisms, forming adrenergic receptors TPH1, TPH2, SRR TSHR 538/4885SOS2 959/4885ADRB3 37/4885

“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.