SCHEMBL14501904

SCHEMBL14501904

COC1CCC2(CC1)NC(=O)C(c1ccc(C)cc1Br)=C2OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.42
▸ ACACA Q13085 6/20 0.42
▸ BACE1 P56817 3/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 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
SCHEMBL13295035 0.90 ACACB (0.45) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13266752 0.88 ACACB (0.42) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL11932139 0.88 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL12778736 0.88 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL13105390 0.87 ACACB (0.41) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL14490552 0.82 ACACB (0.36) ACACBACACA
SCHEMBL12778724 0.81 ACACB (0.40) ACACBACACABACE1CHRM2CHRM4
SCHEMBL2850592 0.80 ACACB (0.52) ACACBACACACHRM2CHRM4CHRM5
SCHEMBL14400275 0.79 ACACB (0.42) ACACBACACABACE1
SCHEMBL2850600 0.79 ACACB (0.54) ACACBACACACHRM2CHRM4CHRM5

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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 — — 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-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 ACACB 936/4885ACACA 947/4885BACE1 4650/4885

“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.

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