SCHEMBL6032504

SCHEMBL6032504

CC(=O)C1(c2ccccc2)CCN(C(=O)CC(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
OPRD1 P41143 4/20 0.48
OPRM1 P35372 5/20 0.48
TACR1 P25103 1/20 0.48
KMT2A Q03164 3/20 0.45
TET3 O43151 1/20 0.45
FBXL19 Q6PCT2 1/20 0.45
CXXC5 Q7LFL8 1/20 0.45
TET1 Q8NFU7 1/20 0.45
KDM2B Q8NHM5 1/20 0.45
CXXC4 Q9H2H0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
HSD11B1 P28845 4/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6032506 0.84 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL18068774 0.84 OPRM1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2636624 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL13774957 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6030899 0.78 MEN1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL6032348 0.77 AR (0.54) CA12CA1CA2CA7CA9
SCHEMBL6032510 0.77 SMN1; SMN2 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8324812 0.76 OPRM1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL3543988 0.75 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6032542 0.75 CA12 (0.49) CA12CA1CA2CA7CA9

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-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 US claimed
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 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-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof NR1H2, NR1H3, RXRG CA12 4836/4885CA1 4863/4885CA2 4730/4885

“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.