SCHEMBL6748743

SCHEMBL6748743

CC(C)(C)OC(=O)N1CC=CCC2(C1)C(=O)Nc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.43
RXRA P19793 11/20 0.43
NR1H3 Q13133 11/20 0.43
MAPK1 P28482 1/20 0.41
BACE1 P56817 3/20 0.40
PDK2 Q15119 1/20 0.37
RORC P51449 2/20 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
SCHEMBL15649218 0.87 NR1H2 (0.47) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL25705133 0.83 NR1H2 (0.49) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL14937861 0.83 NR1H2 (0.49) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL30686503 0.83 NR1H2 (0.49) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL21172949 0.83 NR1H2 (0.49) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL6641699 0.82 BACE1 (0.43) BACE1PDK2
SCHEMBL3735167 0.81 NR1H2 (0.48) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL13563955 0.81 NR1H2 (0.43) NR1H2RXRANR1H3MAPK1PDK2
SCHEMBL1195957 0.80 NR1H2 (0.51) NR1H2RXRANR1H3MAPK1BACE1
SCHEMBL1195959 0.80 NR1H2 (0.51) NR1H2RXRANR1H3MAPK1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774132-B1 Spirooxindole derivatives that act as analgesics ASTRAZENECA AB (SE) 2004-08-10 US disclosed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 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-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. OPRK1, OPRD1, OPRL1 NR1H2 163/4885RXRA 1231/4885NR1H3 182/4885

“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.