SCHEMBL4879907

SCHEMBL4879907

CC1(C)OCC(O)(c2ccc(Br)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
OPRL1 P41146 3/20 0.37
CHRNA1 P02708 4/20 0.35
CHRNG P07510 4/20 0.35
CHRNB1 P11230 4/20 0.35
CHRNB2 P17787 4/20 0.35
SLC6A2 P23975 4/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA4 P43681 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CHRND Q07001 4/20 0.35
SLC6A4 P31645 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL8990373 0.80 CHRNB2 (0.46) OPRM1OPRD1OPRK1OPRL1CHRNA1
SCHEMBL744149 0.79 WDR91 (0.41) TAAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4882640 0.79 CHRNB2 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4874839 0.77 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3209284 0.73 TAAR1 (0.47) TAAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL14142801 0.73 TAAR1 (0.47) TAAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25072961 0.72 OPRM1 (0.46) TAAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL12526871 0.72 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL15573716 0.72 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL14700470 0.71 OPRM1 (0.45) TAAR1OPRM1OPRD1OPRK1OPRL1

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 TAAR1 4190/4885OPRM1 4498/4885OPRD1 2557/4885

“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.