SCHEMBL50239

SCHEMBL50239

CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(=O)(=O)NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.66
ADRA1A P35348 6/20 0.66
ADRA1B P35368 6/20 0.66
HTR1A P08908 5/20 0.66
ADRB2 P07550 1/20 0.66
ADRB1 P08588 1/20 0.66
ADRA2A P08913 1/20 0.66
DRD2 P14416 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
HTR2A P28223 1/20 0.66
HTR7 P34969 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD3 P35462 1/20 0.66
HTR2B P41595 1/20 0.66
KCNH2 Q12809 1/20 0.66
EDNRA P25101 5/20 0.43
PTGS2 P35354 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL10281471 0.84 ADRA1D (0.79) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL17471518 0.83 ADRA1D (0.80) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL4911405 0.83 ADRA1D (0.80) ADRA1DADRA1AADRA1BHTR1AADRB2
Water SCHEMBL6231086 0.81 ADRA1D (0.77) ADRA1DADRA1AADRA1BHTR1AADRB2
SCHEMBL9548029 0.81 ADRA1D (0.83) ADRA1DADRA1AADRA1BHTR1AADRB2
Tamsulosin SCHEMBL9121593 0.80 ADRA1A (0.96) ADRA1DADRA1AADRA1BHTR1AADRB2
Tamsulosin SCHEMBL53998 0.80 ADRA1A (1.00) ADRA1DADRA1AADRA1BHTR1AADRB2
Hydrochloric Acid SCHEMBL9548066 0.80 ADRA1D (0.81) ADRA1DADRA1AADRA1BHTR1AADRB2
Tamsulosin SCHEMBL34378 0.80 ADRA1A (1.00) ADRA1DADRA1AADRA1BHTR1AADRB2
Tamsulosin SCHEMBL30465862 0.80 ADRA1A (1.00) ADRA1DADRA1AADRA1BHTR1AADRB2

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-20120088838-A1 METHODS FOR MAINTAINING EFFECTIVE PLASMA CONCENTRATIONS OF A PHARMACEUTICAL ASTELLAS PHARMA INC. (JP) 2012-04-12 US disclosed
US-8128958-B2 Sustained release pharmaceutical composition ASTELLAS PHARMA INC. (JP) 2012-03-06 US disclosed
US-20050100603-A1 Sustained release pharmaceutical composition YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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-20120088838-A1 METHODS FOR MAINTAINING EFFECTIVE PLASMA CONCENTRATIONS OF A PHARMACEUTICAL ADRB1, NPSR1, ADRA1B ADRA1D 17/4885ADRA1A 5/4885ADRA1B 3/4885
US-20050100603-A1 Sustained release pharmaceutical composition ADRB1, ADRA1B, ADRB2 ADRA1D 5/4885ADRA1A 4/4885ADRA1B 2/4885

“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.