SCHEMBL20730372

SCHEMBL20730372

CNC[C@H](OP)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.54
ADRB1 P08588 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL762804 0.83 ADRB2 (0.51) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL1310985 0.82 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL1310988 0.82 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL14239433 0.82 ADRB2 (0.66) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL13360727 0.82 ADRB2 (0.66) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL741247 0.75 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL19770137 0.75 ADRB2 (0.54) ADRB2ADRB1KDM4EMEN1LMNA
SCHEMBL18531167 0.74 ADRB2 (0.45) ADRB2ADRB1
SCHEMBL19386672 0.73 ADRB2 (0.43) ADRB2ADRB1
SCHEMBL18239869 0.73 ADRB2 (0.52) ADRB2ADRB1KDM4EMEN1LMNA

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-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 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-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885KDM4E 3790/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885KDM4E 3791/4885

“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.