SCHEMBL13575906

SCHEMBL13575906

C=C(Cc1ccc(OC)c(S(N)(=O)=O)c1)NCCOc1ccccc1OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 7/20 0.65
▸ ADRA1D P25100 6/20 0.65
▸ ADRA1B P35368 6/20 0.65
▸ ADRB2 P07550 3/20 0.65
▸ DRD2 P14416 3/20 0.65
▸ DRD3 P35462 3/20 0.65
▸ ADRB1 P08588 2/20 0.65
▸ HTR1A P08908 2/20 0.65
▸ ADRA2A P08913 2/20 0.65
▸ ADRA2B P18089 2/20 0.65
▸ ADRA2C P18825 2/20 0.65
▸ HTR2A P28223 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ HTR7 P34969 1/20 0.65
▸ OPRM1 P35372 1/20 0.65
▸ SLC6A4 P31645 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MTNR1A P48039 1/20 0.43

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
SCHEMBL14301033 0.81 ADRA1A (0.70) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL30361066 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL29363851 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL29599595 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL34378 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL29566149 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL29588704 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL53998 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRB2DRD2
SCHEMBL19068575 0.79 ADRA1A (0.81) ADRA1AADRA1DADRA1BADRB2DRD2
Tamsulosin SCHEMBL30465862 0.79 ADRA1A (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 — — US disclosed
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-12-10 — — US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 — — US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 — — US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 — — 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 (3 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-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP ADRA1A 1742/4885ADRA1D 3128/4885ADRA1B 2618/4885
US-20090306228-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP ADRA1A 1742/4885ADRA1D 3128/4885ADRA1B 2618/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B ADRA1A 1299/4885ADRA1D 2164/4885ADRA1B 1875/4885

“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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