SCHEMBL4385168

SCHEMBL4385168

CC(C)(Cc1cccc(C(=O)NC(C)(C)Cc2ccccc2)c1)NC[C@@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.76
ADRB1 P08588 5/20 0.65
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HIF1A Q16665 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
CHRM3 P20309 1/20 0.51
PMP22 Q01453 1/20 0.51
ADRA1D P25100 1/20 0.47
ADRB3 P13945 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
SCHEMBL4385163 1.00 ADRB2 (0.76) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4386838 0.89 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4386830 0.89 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL27654126 0.89 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL5968882 0.89 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL5968883 0.89 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL5968628 0.88 ADRB2 (0.68) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL5968634 0.88 ADRB2 (0.68) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL13589418 0.88 ADRB2 (0.73) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4385610 0.87 ADRB2 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP claimed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP 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 (1 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885ADRB1 711/4885CYP1A2 40/4885

“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.