SCHEMBL10119956

SCHEMBL10119956

CC(C)C1CCN(C2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.43
OPRM1 P35372 17/20 0.43
OPRK1 P41145 9/20 0.43
OPRD1 P41143 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL10217302 0.89 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL10216760 0.85 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10119958 0.82 SMN1; SMN2 (0.35) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL9976590 0.81 OPRM1 (0.50) OPRL1OPRM1OPRK1OPRD1
SCHEMBL760258 0.81 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL824131 0.81 OPRL1 (0.49) OPRL1OPRM1OPRK1OPRD1
SCHEMBL22874788 0.79 OPRM1 (0.49) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2756712 0.79 L3MBTL1 (0.38) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10216534 0.78 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL10140528 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TLR9TLR8TLR7

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-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG OPRL1 1269/4885OPRM1 991/4885OPRK1 925/4885

“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.