SCHEMBL4389801

SCHEMBL4389801

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.53
ADRB1 P08588 8/20 0.51
CHRM3 P20309 1/20 0.44
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CASR P41180 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRB3 P13945 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
PMP22 Q01453 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
SCHEMBL4389797 1.00 ADRB2 (0.53) ADRB2ADRB1CHRM3CYP2D6SLC6A2
SCHEMBL4388801 0.91 ADRB2 (0.59) ADRB2ADRB1CHRM3CYP2D6CYP1A2
SCHEMBL4388803 0.91 ADRB2 (0.59) ADRB2ADRB1CHRM3CYP2D6CYP1A2
SCHEMBL4388444 0.88 ADRB2 (0.53) ADRB2ADRB1CHRM3CYP2D6CASR
SCHEMBL4388443 0.88 ADRB2 (0.53) ADRB2ADRB1CHRM3CYP2D6CASR
SCHEMBL13589457 0.87 ADRB2 (0.56) ADRB2ADRB1CHRM3CYP2D6CYP1A2
SCHEMBL6110706 0.87 ADRB2 (0.55) ADRB2ADRB1CHRM3CYP2D6CYP1A2
SCHEMBL13589448 0.86 ADRB2 (0.52) ADRB2ADRB1CHRM3CYP2D6CYP1A2
SCHEMBL6111375 0.86 ADRB2 (0.68) ADRB2ADRB1CHRM3
SCHEMBL6111372 0.86 ADRB2 (0.68) ADRB2ADRB1CHRM3

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-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

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 711/4885CHRM3 692/4885

“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.