SCHEMBL4016148

SCHEMBL4016148

CC(C)(CCn1cncn1)NCC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.59
ADRB1 P08588 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PMP22 Q01453 1/20 0.54

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
SCHEMBL4013035 0.84 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL3368110 0.83 ADRB3 (0.63) ADRB2
SCHEMBL11743993 0.83 ADRB2 (0.79) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10748884 0.82 ADRB2 (0.61) ADRB2ADRB1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL11744001 0.82 TDP1 (0.80) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4014681 0.81 ADRB2 (0.48) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4627149 0.78 ADRB2 (0.79) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4017028 0.77 ADRB2 (0.48) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL6701896 0.77 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
Sulfuric Acid SCHEMBL11749274 0.76 PMP22 (0.78) ADRB2ADRB1CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US disclosed
US-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases PAH, CYP11B1, CYP11B2 ADRB2 117/4885ADRB1 69/4885CYP1A2 19/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 ADRB2 169/4885ADRB1 119/4885CYP1A2 17/4885

“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.