SCHEMBL10216446

SCHEMBL10216446

CC(C)[C@H]1C[C@@H](CN2CC[C@H](O)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRL1 P41146 1/20 0.36
DPP4 P27487 2/20 0.33
KCNA3 P22001 1/20 0.32
OPRK1 P41145 2/20 0.32
OPRD1 P41143 1/20 0.32
MELK Q14680 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL10216447 1.00 OPRM1 (0.36) OPRM1OPRL1DPP4KCNA3OPRK1
SCHEMBL10217085 0.89 ACHE (0.36) OPRM1OPRL1KCNA3OPRK1OPRD1
SCHEMBL14708016 0.86 OPRL1 (0.40) OPRM1OPRL1DPP4OPRK1OPRD1
SCHEMBL10216732 0.86 OPRL1 (0.40) OPRM1OPRL1DPP4OPRK1OPRD1
SCHEMBL10216738 0.86 OPRL1 (0.40) OPRM1OPRL1DPP4OPRK1OPRD1
SCHEMBL10216430 0.85 PIK3CD (0.31)
SCHEMBL10216451 0.85 PIK3CD (0.31)
SCHEMBL10216497 0.81 ACHE (0.32) DPP4JAK2JAK1TYK2JAK3
SCHEMBL10216485 0.81 ACHE (0.32) DPP4JAK2JAK1TYK2JAK3
SCHEMBL10216434 0.81 ACHE (0.32) DPP4JAK2JAK1TYK2JAK3

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 OPRM1 2440/4885OPRL1 3570/4885DPP4 2994/4885

“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.