SCHEMBL6729317

SCHEMBL6729317

c1ccc(CCO[C@@H]2CCCC[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.52
OPRK1 P41145 2/20 0.50
OPRD1 P41143 1/20 0.50
TACR1 P25103 1/20 0.46
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
KCNA5 P22460 1/20 0.43
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL6729315 1.00 OPRM1 (0.52) OPRM1OPRK1OPRD1TACR1PSEN1
SCHEMBL21359781 0.89 PSEN1 (0.53) OPRM1OPRK1OPRD1TACR1PSEN1
SCHEMBL20995912 0.85 PSEN1 (0.53) OPRM1TACR1PSEN1PSEN2APH1B
SCHEMBL2624933 0.85 OPRM1 (0.55) OPRM1OPRK1OPRD1PSEN1PSEN2
SCHEMBL2624934 0.85 OPRM1 (0.55) OPRM1OPRK1OPRD1PSEN1PSEN2
SCHEMBL13303676 0.81 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL411284 0.81 OPRM1 (0.55) OPRM1OPRK1OPRD1PSEN1PSEN2
SCHEMBL411240 0.81 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410116 0.81 OPRM1 (0.51) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL410620 0.81 OPRM1 (0.51) 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.