SCHEMBL6416448

SCHEMBL6416448

CC1CCC(C(C)C)C(c2[c]c(C3CC(C)CCC3C(C)C)cc(C3CC(C)CCC3C(C)C)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.41
TRPA1 O75762 2/20 0.41
KCNA5 P22460 1/20 0.36
EPHX1 P07099 1/20 0.36
TRPV1 Q8NER1 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL30413242 0.79 OPRM1 (0.49) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL9558710 0.77 TRPM8 (0.43) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL10594114 0.76 OPRM1 (0.64) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL13822311 0.76 OPRM1 (0.41) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL29549463 0.75 TRPM8 (0.46) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL3639819 0.75 KCNA5 (0.53) OPRM1TRPM8TRPA1KCNA5TRPV1
SCHEMBL8498806 0.73 TRPA1 (0.43) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL9737051 0.73 TRPA1 (0.43) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL9558707 0.73 KCNA5 (0.44) OPRM1TRPM8TRPA1KCNA5EPHX1
SCHEMBL8495797 0.73 OPRM1 (0.44) OPRM1TRPM8TRPA1KCNA5EPHX1

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-20050192305-A1 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF L M (BE) 2005-09-01 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-20050192305-A1 HIV inhibiting pyrimidine derivatives NR4A1, CCR5, NR4A3 OPRM1 80/4885TRPM8 2822/4885TRPA1 1915/4885

“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.