SCHEMBL2957366

SCHEMBL2957366

NCCc1ccc(NC[C@H](O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.71
ADRB1 P08588 3/20 0.53
AOC3 Q16853 3/20 0.50
ADRB3 P13945 1/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR2A P28223 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP2D6 P10635 1/20 0.45
BCAT2 O15382 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL2010668 1.00 ADRB2 (0.71) ADRB2ADRB1AOC3ADRB3KDM4E
SCHEMBL2957367 1.00 ADRB2 (0.71) ADRB2ADRB1AOC3ADRB3KDM4E
Bromide SCHEMBL3419252 0.98 ADRB2 (0.69) ADRB2ADRB1AOC3ADRB3KDM4E
Bromide SCHEMBL5670599 0.98 ADRB2 (0.69) ADRB2ADRB1AOC3ADRB3KDM4E
Bromide SCHEMBL3419254 0.98 ADRB2 (0.69) ADRB2ADRB1AOC3ADRB3KDM4E
Trifluoroacetic Acid SCHEMBL4862945 0.89 ADRB2 (0.59) ADRB2ADRB1AOC3ADRB3KDM4E
Trifluoroacetic Acid SCHEMBL4862950 0.89 ADRB2 (0.59) ADRB2ADRB1AOC3ADRB3KDM4E
SCHEMBL13596185 0.84 ADRB2 (0.71) ADRB2ADRB1AOC3ADRB3KDM4E
SCHEMBL29033215 0.83 ADRB2 (0.60) ADRB2ADRB1AOC3KDM4EL3MBTL1
SCHEMBL31450080 0.83 ADRB2 (0.60) ADRB2ADRB1AOC3KDM4EL3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075271-A1 Crystalline beta2 adrenergic receptor agonist THERAVANCE, INC. 2005-04-07 US claimed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 US disclosed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 US disclosed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 US disclosed
US-7772434-B2 Crystalline form of a β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-7772434-B2 Crystalline form of a β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-7772434-B2 Crystalline form of a β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2007-07-05 US disclosed
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2007-07-05 US disclosed
EP-1730104-A1 CHEMICAL PROCESS AND NEW CRYSTALLINE FORM GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
EP-1641744-A2 CRYSTALLINE FORM OF B2 ADRENERGIC RECEPTOR AGONIST Theravance, Inc. (US) 2006-04-05 EP disclosed
WO-2005095328-A1 CHEMICAL PROCESS AND NEW CRYSTALLINE FORM GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
EP-1532104-A1 CRYSTALLINE BETA-2 ADRENERGIC RECEPTOR AGONIST Theravance, Inc. (US) 2005-05-25 EP disclosed
US-20050075271-A1 Crystalline beta2 adrenergic receptor agonist THERAVANCE, INC. 2005-04-07 US disclosed
WO-2004106279-A2 CRYSTALLINE FORM OF β2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040248985-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-09 US disclosed
WO-2004011416-A1 CRYSTALLINE β2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2004-02-05 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 (4 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-20040248985-A1 Crystalline form of beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB1 4/4885AOC3 2331/4885
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB1 4/4885AOC3 2385/4885
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB1 4/4885AOC3 2422/4885
US-20050075271-A1 Crystalline beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB1 4/4885AOC3 2435/4885

“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.