SCHEMBL6700312

SCHEMBL6700312

Cc1ccc(CCC(=O)N(C)[C@H]2CC[C@](O)(c3ccc(O)cn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 0.35
ME1 P48163 6/20 0.35
ME3 Q16798 6/20 0.35
SYK P43405 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL6700320 1.00 ME2 (0.35) ME2ME1ME3SYKSLC5A1
SCHEMBL6700317 1.00 ME2 (0.35) ME2ME1ME3SYKSLC5A1
SCHEMBL6702535 0.91 ME2 (0.44) ME2ME1ME3
SCHEMBL6702532 0.91 ME2 (0.44) ME2ME1ME3
SCHEMBL6702533 0.91 ME2 (0.44) ME2ME1ME3
SCHEMBL5961235 0.91 ME2 (0.43) ME2ME1ME3SIGMAR1
SCHEMBL6700021 0.91 ME2 (0.43) ME2ME1ME3SIGMAR1
SCHEMBL8338422 0.83 HSD11B1 (0.39) SYK
SCHEMBL5961272 0.81 ALDH1A1 (0.47)
SCHEMBL5961270 0.81 ALDH1A1 (0.47)

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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists KAWAI MAKOTO (JP) 2004-08-05 US disclosed
WO-2004054579-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2004-07-01 WO 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-20040152715-A1 Cycloalkylene amide compounds as NR2B receptor antagonists GRIN1, GRIN3A, GRIN2A ME2 3006/4885ME1 2843/4885ME3 2352/4885

“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.