SCHEMBL84101

SCHEMBL84101

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.50
HRH4 Q9H3N8 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38

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 0.86 BRAF (0.46)
SCHEMBL84608 0.86 ACACB (0.39) ACACBHRH4
SCHEMBL91477 0.84 ACACB (0.51) ACACBHRH4MTNR1AMTNR1B
SCHEMBL84432 0.84 ACACB (0.40) ACACB
SCHEMBL84422 0.84 ACACB (0.39) ACACBHRH4
SCHEMBL84383 0.83 SYK (0.40) ACACB
SCHEMBL84410 0.83 ACACB (0.40) ACACB
SCHEMBL84430 0.82 ACACB (0.39) ACACB
SCHEMBL84102 0.81 BRAF (0.39)
SCHEMBL84443 0.79 HRH4 (0.44) HRH4

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 4 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-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 1921/4885HRH4 2437/4885MTNR1A 4158/4885

“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.