SCHEMBL10119957

SCHEMBL10119957

CC(C)C1CN(C2CCOCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.34
PIK3CD O00329 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL14752135 0.88 OPRM1 (0.30) OPRM1
SCHEMBL12458632 0.86 HRH3 (0.35) HRH3PIK3CDOPRM1OPRD1OPRK1
SCHEMBL20756541 0.86 HRH3 (0.35) HRH3PIK3CDOPRM1OPRD1OPRK1
SCHEMBL17834049 0.84 OPRL1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL23571178 0.83 HRH3 (0.33) HRH3
SCHEMBL25854169 0.83 ALDH1A1 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL20756543 0.83 ALDH1A1 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL12458630 0.83 ALDH1A1 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL10119959 0.81 OPRM1 (0.40) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL19630699 0.79 OPRM1 (0.34) OPRM1OPRK1OPRL1

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 4 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-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
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 HRH3 1331/4885PIK3CD 2/4885OPRM1 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.