SCHEMBL22808490

SCHEMBL22808490

CC(C)[C@H]1c2ccccc2C[C@@H]1OCCCCO[C@H]1Cc2ccccc2[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.33
OPRK1 P41145 2/20 0.33
BIRC2 Q13490 1/20 0.33
PRCP P42785 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
DRD2 P14416 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL22456647 0.99 BIRC2 (0.35) OPRM1OPRK1BIRC2PRCPHDAC3
SCHEMBL26996818 0.93 OPRM1 (0.37) OPRM1OPRK1BIRC2PRCPSIGMAR1
SCHEMBL26996825 0.92 BIRC2 (0.37) OPRM1OPRK1BIRC2PRCPSIGMAR1
SCHEMBL26996981 0.87 HDAC3 (0.38) OPRM1BIRC2PRCPHDAC3HDAC4
SCHEMBL22808526 0.87 HDAC3 (0.38) OPRM1BIRC2PRCPHDAC3HDAC4
SCHEMBL22872971 0.83 CHRNB2 (0.36) OPRM1OPRK1PRCPHDAC3HDAC4
SCHEMBL26269491 0.83 CRHR1 (0.38) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL23978901 0.82 CRHR1 (0.40) OPRM1OPRK1PRCPSIGMAR1
SCHEMBL18289331 0.82 NTRK1 (0.39) OPRM1OPRK1PRCPSIGMAR1CHRNB2
SCHEMBL24304296 0.81 IDO1 (0.35) OPRM1BIRC2PRCPHDAC3HDAC4

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-10870663-B2 Compounds useful in HIV therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-22 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-10870663-B2 Compounds useful in HIV therapy CCR5, SLC11A2, CD4 OPRM1 2164/4885OPRK1 1588/4885BIRC2 2782/4885

“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.