SCHEMBL10216732

SCHEMBL10216732

CC(C)[C@H]1CC[C@@H](CN2CC[C@@H](O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.40
OPRM1 P35372 2/20 0.40
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
MELK Q14680 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ACHE P22303 1/20 0.34
DPP4 P27487 2/20 0.33
KDM2B Q8NHM5 3/20 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
SCHEMBL10216738 1.00 OPRL1 (0.40) OPRL1OPRM1JAK2JAK1TYK2
SCHEMBL14708016 1.00 OPRL1 (0.40) OPRL1OPRM1JAK2JAK1TYK2
SCHEMBL10216447 0.86 OPRM1 (0.36) OPRL1OPRM1JAK2JAK1TYK2
SCHEMBL10216446 0.86 OPRM1 (0.36) OPRL1OPRM1JAK2JAK1TYK2
SCHEMBL1929243 0.85 JAK2 (0.41) OPRM1JAK2JAK1TYK2JAK3
SCHEMBL20006824 0.82 ACHE (0.40) OPRL1OPRD1OPRK1ACHE
SCHEMBL27425161 0.81 ACHE (0.45) OPRL1OPRM1OPRD1OPRK1ACHE
SCHEMBL23809955 0.80 ACHE (0.50) JAK2JAK1TYK2JAK3MELK
SCHEMBL16480144 0.80 ACHE (0.50) JAK2JAK1TYK2JAK3MELK
SCHEMBL20756456 0.80 ACHE (0.39) OPRL1OPRM1OPRD1OPRK1ACHE

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 OPRL1 3570/4885OPRM1 2440/4885JAK2 311/4885

“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.