SCHEMBL5044146

SCHEMBL5044146

COCCn1cc(OC)s/c1=N\C(=O)C12CC3CC(CC(C3)C1=O)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
CNR2 P34972 11/20 0.34
CNR1 P21554 5/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL967097 0.86 CNR2 (0.45) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL967095 0.86 CNR2 (0.45) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL5047212 0.81 CNR2 (0.39) HSD11B1CNR2CNR1
SCHEMBL5048470 0.79 BACE1 (0.34) CNR2CNR1KDM4E
SCHEMBL5047243 0.76 HSD11B1 (0.33) HSD11B1CNR2CNR1HPGD
SCHEMBL964164 0.74 CNR2 (0.46) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL961865 0.74 CNR2 (0.46) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL965811 0.74 CNR2 (0.46) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL963175 0.74 CNR2 (0.46) HSD11B1CNR2CNR1MEN1KMT2A
SCHEMBL966371 0.73 CNR2 (0.40) HSD11B1CNR2CNR1MEN1KMT2A

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 HSD11B1 2983/4885CNR2 5/4885CNR1 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.