SCHEMBL6722023

SCHEMBL6722023

Br[C@H]1CCCCC1OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRK1 P41145 2/20 0.49
OPRD1 P41143 1/20 0.49
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
KCNA5 P22460 1/20 0.36
SCN5A Q14524 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6722027 1.00 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL6729317 0.81 OPRM1 (0.52) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL6729315 0.81 OPRM1 (0.52) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410620 0.80 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL13303676 0.80 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410110 0.80 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL411284 0.80 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410116 0.80 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL409665 0.80 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410115 0.80 OPRM1 (0.55) OPRM1OPRK1OPRD1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2004-03-11 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-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls CYP8B1, AGTR1, AGTR2 OPRM1 923/4885OPRK1 660/4885OPRD1 326/4885

“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.