SCHEMBL6399196

SCHEMBL6399196

CCC(C)(C)NCC(O)c1ccc(O)c(O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.45
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRB2 P07550 8/20 0.40
ADRB1 P08588 7/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL6259255 0.84 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL6258471 0.81 ADRB2 (0.40) ADRB3ADRB2ADRB1
SCHEMBL6262196 0.81 ADRB2 (0.40) ADRB3ADRB2ADRB1
SCHEMBL6259212 0.81 ADRB2 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9768276 0.80 ADRA2A (0.44) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL28535211 0.80 ADRA2A (0.62) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6246174 0.71 ADRB1 (0.40) ADRB3ADRA2AADRA2BADRA2CADRA1A
SCHEMBL6261231 0.70 MAPT (0.37) ADRB3ADRB2ADRB1
SCHEMBL4122825 0.68 ADRB2 (0.50) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10875410 0.68 ADRB1 (0.50) ADRB3ADRB2ADRB1BCHEACHE

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-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 US disclosed
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 US disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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 (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-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 ADRB3 9/4885ADRA2A 11/4885ADRA2B 16/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 ADRB3 7/4885ADRA2A 8/4885ADRA2B 13/4885

“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.