SCHEMBL84432

SCHEMBL84432

CC(C)OC(=O)N[C@H](C)CNc1nccc(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
BRAF P15056 18/20 0.39

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
SCHEMBL84098 0.90 BRAF (0.46) BRAF
SCHEMBL91403 0.86 ACACB (0.40) ACACBBRAF
SCHEMBL84430 0.85 ACACB (0.39) ACACBBRAF
SCHEMBL84102 0.84 BRAF (0.39) BRAF
SCHEMBL84101 0.84 ACACB (0.50) ACACB
SCHEMBL84608 0.82 ACACB (0.39) ACACBBRAF
SCHEMBL84383 0.81 SYK (0.40) ACACBBRAF
SCHEMBL84410 0.81 ACACB (0.40) ACACBBRAF
SCHEMBL84422 0.80 ACACB (0.39) ACACBBRAF
SCHEMBL28699312 0.77 BRAF (0.46) BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS ACACB 1921/4885BRAF 1/4885

“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.