SCHEMBL4882640

SCHEMBL4882640

CC1(C)OCC(O)(c2cccc(Br)c2)CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.54
SLC6A2 P23975 10/20 0.54
CHRNB4 P30926 10/20 0.54
CHRNA3 P32297 10/20 0.54
CHRNA4 P43681 10/20 0.54
SLC6A3 Q01959 10/20 0.54
CHRNA1 P02708 9/20 0.54
CHRNB1 P11230 9/20 0.54
CHRNG P07510 8/20 0.54
CHRND Q07001 8/20 0.54
SLC6A4 P31645 5/20 0.54
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HSD11B1 P28845 1/20 0.37
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
HCRTR1 O43613 1/20 0.33

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
SCHEMBL15272219 0.82 CHRNA1 (0.48) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL4879907 0.79 TAAR1 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8990373 0.78 CHRNB2 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL16097817 0.77 ALOX5 (0.49) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL23232243 0.76 CHRNA1 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL30820875 0.76 CHRNA1 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL23714901 0.75 SLC6A2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL23705341 0.73 SLC6A2 (0.43) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL16203267 0.73 CHRNA1 (0.43) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL7136098 0.73 ALDH1A1 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 CHRNB2 4722/4885SLC6A2 2282/4885CHRNB4 4827/4885

“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.