SCHEMBL5485060

SCHEMBL5485060

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.54
ADRB1 P08588 8/20 0.54
ADRB2 P07550 8/20 0.54
TSHR P16473 1/20 0.49
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5479233 1.00 ADRB3 (0.54) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL7636056 0.88 ADRB3 (0.51) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL5480473 0.85 TSHR (0.53) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL5480477 0.85 TSHR (0.53) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL5859950 0.83 TSHR (0.51) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL5857882 0.83 TSHR (0.51) ADRB3ADRB1ADRB2TSHRBCHE
SCHEMBL5482928 0.81 ADRB3 (0.60) ADRB3ADRB1ADRB2KDM4ETDP1
SCHEMBL5486833 0.81 ADRB3 (0.49) ADRB3ADRB1ADRB2MAPTMEN1
SCHEMBL5483300 0.81 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL5483306 0.81 ADRB3 (0.65) ADRB3ADRB1ADRB2

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-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 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

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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 ADRB3 1/4885ADRB1 4/4885ADRB2 3/4885

“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.