SCHEMBL13697643

SCHEMBL13697643

CCOc1ccccc1OCCNC(C)Cc1ccc(CO)c(S(N)(=O)=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 13/20 0.77
ADRA1D P25100 12/20 0.77
ADRA1B P35368 12/20 0.77
ADRB2 P07550 3/20 0.77
ADRB1 P08588 2/20 0.77
HTR1A P08908 2/20 0.77
ADRA2A P08913 2/20 0.77
DRD2 P14416 2/20 0.77
ADRA2B P18089 2/20 0.77
ADRA2C P18825 2/20 0.77
HTR2A P28223 2/20 0.77
DRD3 P35462 2/20 0.77
HTR2B P41595 2/20 0.77
KCNH2 Q12809 2/20 0.77
HTR7 P34969 1/20 0.77
OPRM1 P35372 1/20 0.77
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL14270986 1.00 ADRA1A (0.77) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL14270987 0.90 ADRA1D (0.63) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL14018832 0.90 ADRA1A (0.63) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL4869574 0.90 ADRA1A (0.80) ADRA1AADRA1DADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL4879538 0.89 ADRA1A (0.78) ADRA1AADRA1DADRA1BADRB2ADRB1
Tamsulosin SCHEMBL27699258 0.88 ADRA1A (0.94) ADRA1AADRA1DADRA1BADRB2ADRB1
SCHEMBL12453523 0.88 ADRA1A (0.80) ADRA1AADRA1DADRA1BADRB2ADRB1
Tamsulosin SCHEMBL53998 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2ADRB1
Tamsulosin SCHEMBL29566149 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2ADRB1
Tamsulosin SCHEMBL34378 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221857-A1 PROCESS FOR THE PREPARATION OF TAMSULOSIN AND RELATED COMPOUNDS MEDICHEM S.A. (ES) 2009-09-03 US disclosed
WO-2007119110-A2 PROCESS FOR THE PREPARATION OF TAMSULOSIN AND RELATED COMPOUNDS MEDICHEM, S.A. (US) 2007-10-25 WO 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-20090221857-A1 PROCESS FOR THE PREPARATION OF TAMSULOSIN AND RELATED COMPOUNDS ADRB1, ADRA2B, ADRA1B ADRA1A 17/4885ADRA1D 15/4885ADRA1B 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.