SCHEMBL15768284

SCHEMBL15768284

CC(C)(C)N(C(=O)O)[C@@H](c1ccccc1)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.42
HIF1A Q16665 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
OPRD1 P41143 4/20 0.41
KYNU Q16719 1/20 0.39
ADRB1 P08588 2/20 0.38
ADRA1A P35348 2/20 0.38
MIF P14174 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL14694764 1.00 OPRK1 (0.42) OPRK1HIF1ALMNAKDM4EOPRD1
SCHEMBL5205933 0.83 HIF1A (0.46) OPRK1HIF1ALMNAKDM4EOPRD1
SCHEMBL5206385 0.83 HIF1A (0.46) OPRK1HIF1ALMNAKDM4EOPRD1
SCHEMBL15229301 0.79 OPRK1 (0.41) OPRK1HIF1ALMNAKDM4EOPRD1
SCHEMBL16243710 0.78 LMNA (0.42) LMNAKDM4EOPRD1HTR2AMEN1
SCHEMBL16887735 0.71 KMT2A (0.33) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL5065739 0.71 KYNU (0.50) OPRK1HIF1ALMNAKDM4EOPRD1
SCHEMBL3326907 0.70 AOC3 (0.44) HIF1ALMNAKDM4EKMT2AADRA2A
SCHEMBL28340791 0.70 ATM (0.41) LMNAKDM4EMEN1KMT2ASLC6A3
SCHEMBL28668828 0.70 GRIA2 (0.45) OPRK1HIF1AOPRD1OPRM1

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
US-8987299-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-24 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 US disclosed
US-20140161736-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A (IT) 2014-06-12 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-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B OPRK1 58/4885HIF1A 2059/4885LMNA 2892/4885
US-20140161736-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B OPRK1 51/4885HIF1A 2102/4885LMNA 2681/4885

“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.