SCHEMBL5047212

SCHEMBL5047212

COCCn1cc(-c2ccc(C#N)cc2)s/c1=N\C(=O)C12CC3CC(CC(C3)C1=O)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
PGR P06401 2/20 0.33
CNR1 P21554 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
HSD11B1 P28845 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL961468 0.88 CNR2 (0.41) CNR2PGRCNR1HSD11B1IKBKB
SCHEMBL961466 0.88 CNR2 (0.41) CNR2PGRCNR1HSD11B1IKBKB
SCHEMBL5044146 0.81 HSD11B1 (0.35) CNR2CNR1HSD11B1
SCHEMBL964281 0.80 CNR2 (0.41) CNR2CNR1HSD11B1
SCHEMBL964283 0.80 CNR2 (0.41) CNR2CNR1HSD11B1
SCHEMBL5048470 0.79 BACE1 (0.34) CNR2CNR1
SCHEMBL962271 0.77 CNR2 (0.43) CNR2CNR1HSD11B1
SCHEMBL962269 0.77 CNR2 (0.43) CNR2CNR1HSD11B1
SCHEMBL962838 0.76 CNR2 (0.43) CNR2CNR1HSD11B1
SCHEMBL964172 0.76 CNR2 (0.43) CNR2CNR1HSD11B1

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 5/4885PGR 3621/4885CNR1 10/4885

“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.