SCHEMBL10119958

SCHEMBL10119958

CC(C)C1CN(C2CCS(=O)(=O)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRL1 P41146 4/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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 0.87 OPRL1 (0.36) SMN1; SMN2MAPTOPRM1OPRL1OPRD1
SCHEMBL10119956 0.82 OPRL1 (0.43) SMN1; SMN2OPRM1OPRL1OPRD1OPRK1
SCHEMBL16980438 0.81 OPRM1 (0.37) OPRM1OPRL1OPRK1
SCHEMBL19630699 0.81 OPRM1 (0.34) OPRM1OPRL1OPRK1
SCHEMBL17834049 0.80 OPRL1 (0.36) OPRM1OPRL1OPRD1OPRK1
SCHEMBL10217420 0.79
SCHEMBL18557138 0.79 OPRM1 (0.36) OPRM1OPRL1OPRK1
SCHEMBL20402865 0.79 OPRM1 (0.36) OPRM1OPRL1OPRK1
SCHEMBL15222420 0.79 OPRM1 (0.36) OPRM1OPRL1OPRK1
SCHEMBL10140532 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPT

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 SMN1; SMN2 2114/4885MAPT 1271/4885OPRM1 991/4885

“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.