SCHEMBL5047231

SCHEMBL5047231

COCCCCn1c(C)c(C)sc1=NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.52
CNR1 P21554 6/20 0.52
PIM1 P11309 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 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
SCHEMBL5047222 1.00 CNR2 (0.52) CNR2CNR1PIM1CLK2CLK4
SCHEMBL1613913 0.97 CNR2 (0.53) CNR2CNR1PIM1CLK2CLK4
SCHEMBL1613910 0.97 CNR2 (0.53) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961884 0.92 CNR2 (0.61) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961886 0.92 CNR2 (0.61) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961906 0.90 CNR2 (0.54) CNR2CNR1PIM1CLK2CLK4
SCHEMBL961905 0.90 CNR2 (0.54) CNR2CNR1PIM1CLK2CLK4
SCHEMBL962311 0.86 CNR2 (0.53) CNR2CNR1HSD11B1ALDH1A1TSHR
SCHEMBL962313 0.86 CNR2 (0.53) CNR2CNR1HSD11B1ALDH1A1TSHR
SCHEMBL961901 0.84 CNR2 (0.49) CNR2CNR1PIM1CLK2CLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US claimed

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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 CNR2 5/4885CNR1 10/4885PIM1 1914/4885

“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.