SCHEMBL2012632

SCHEMBL2012632

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.49
HTR6 P50406 2/20 0.49
HTR2A P28223 2/20 0.47
CYP2A6 P11509 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
GBA1 P04062 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL3941219 1.00 ADRB2 (0.49) ADRB2HTR6HTR2ACYP2A6SMN1; SMN2
SCHEMBL13596180 0.86 ADRB2 (0.48) ADRB2HTR2AGBA1FNTAFNTB
SCHEMBL13072252 0.83 ADRB2 (0.46) ADRB2GBA1FNTAFNTBAAK1
SCHEMBL28442139 0.83 ALDH1A1 (0.45) ADRB2GBA1FNTAFNTBAAK1
SCHEMBL2957366 0.83 ADRB2 (0.71) ADRB2HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL2957367 0.83 ADRB2 (0.71) ADRB2HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL2010668 0.83 ADRB2 (0.71) ADRB2HTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL18539226 0.82 GBA1 (0.50) SMN1; SMN2GBA1FNTAFNTBAAK1
Bromide SCHEMBL3419252 0.81 ADRB2 (0.69) ADRB2HTR2ACYP2A6SMN1; SMN2TAAR1
Bromide SCHEMBL3419254 0.81 ADRB2 (0.69) ADRB2HTR2ACYP2A6SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US disclosed
US-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US disclosed
US-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US disclosed
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-04-30 US disclosed
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-04-30 US disclosed
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-04-30 US disclosed
EP-1687257-B1 AMINO-SUBSTITUTED ETHYLAMINO BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-15 EP disclosed
EP-1687257-B1 AMINO-SUBSTITUTED ETHYLAMINO BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-15 EP disclosed
US-7399863-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-15 US disclosed
US-7399863-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-15 US disclosed
US-7399863-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-15 US disclosed
EP-1687257-A2 AMINO-SUBSTITUTED ETHYLAMINO &Bgr;2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-08-09 EP disclosed
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
WO-2005030678-A2 AMINO-SUBSTITUTED ETHYLAMINO β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-04-07 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 (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-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885HTR6 303/4885HTR2A 66/4885
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885HTR6 303/4885HTR2A 66/4885

“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.