SCHEMBL11086849

SCHEMBL11086849

CCOc1ccccc1OCCNC(C)C(O)c1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 7/20 0.67
▸ ADRA1D P25100 6/20 0.67
▸ ADRA1B P35368 6/20 0.67
▸ ADRB2 P07550 4/20 0.67
▸ DRD2 P14416 4/20 0.67
▸ DRD3 P35462 4/20 0.67
▸ ADRB1 P08588 4/20 0.67
▸ HTR1A P08908 2/20 0.67
▸ ADRA2A P08913 2/20 0.67
▸ ADRA2B P18089 2/20 0.67
▸ ADRA2C P18825 2/20 0.67
▸ HTR2A P28223 2/20 0.67
▸ HTR2B P41595 2/20 0.67
▸ KCNH2 Q12809 2/20 0.67
▸ HTR7 P34969 1/20 0.67
▸ OPRM1 P35372 1/20 0.67
▸ SLC6A4 P31645 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ DRD1 P21728 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
Hydrochloric Acid SCHEMBL9127458 0.99 ADRA1A (0.66) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL11082691 0.95 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL10953622 0.88 ADRA1A (0.67) ADRA1AADRA1DADRA1BADRB2DRD2
Hydrochloric Acid SCHEMBL9122629 0.87 ADRA1A (0.66) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL11083181 0.87 ADRB2 (0.71) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL13697580 0.85 ADRA1A (0.80) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL11474908 0.83 ADRA1A (0.46) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL11486580 0.83 ADRB2 (0.77) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL10952370 0.83 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRB2DRD2
Hydrochloric Acid SCHEMBL9857980 0.82 ADRB2 (0.75) ADRA1AADRA1DADRA1BADRB2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034432-B1 SULFAMOYL-SUBSTITUTED PHENETHYLAMINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS, CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-04-25 — — EP claimed
US-8017803-B2 Process for the preparation of tamsulosin and intermediates thereof HOVIONE INTER LTD. (CH) 2011-09-13 — — US disclosed
US-20090234154-A1 Process for the preparation of tamsulosin and intermediates thereof HOVIONE INTER LTD. 2009-09-17 — — US disclosed
US-20070142669-A1 reacting o-ethoxyphenoxyethanol with sulfonyl chloride; reacting the sulfonate with (R)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide by condensation to produce Tamsulosin SCINOPHARM TAIWAN LTD. 2007-06-21 — — 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-20090234154-A1 Process for the preparation of tamsulosin and intermediates thereof AVPR2, AVPR1B, TACR2 ADRA1A 57/4885ADRA1D 31/4885ADRA1B 9/4885
US-20070142669-A1 reacting o-ethoxyphenoxyethanol with sulfonyl chloride; reacting the sulfonate with (R)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide by condensation to produce Tamsulosin BPHL, REN, MME ADRA1A 58/4885ADRA1D 69/4885ADRA1B 33/4885

“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.

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