SCHEMBL18014698

SCHEMBL18014698

Cn1ncc2cc(-c3ccccc3CC(C)(C)C)ccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.61
▸ AR P10275 5/20 0.46
▸ CREBBP Q92793 2/20 0.43
▸ SLC16A3 O15427 1/20 0.43
▸ SLC16A1 P53985 1/20 0.43
▸ USP7 Q93009 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ APP P05067 1/20 0.42
▸ CCNC P24863 4/20 0.41
▸ CDK8 P49336 4/20 0.41
▸ FAAH O00519 1/20 0.41
▸ SRC P12931 2/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40

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
SCHEMBL18015720 0.85 TRPA1 (0.61) TRPA1ARCREBBPSLC16A3SLC16A1
SCHEMBL21116103 0.84 TRPA1 (0.60) TRPA1ARCREBBPUSP7BRD4
SCHEMBL21116102 0.82 TRPA1 (0.57) TRPA1ARCREBBPUSP7BRD4
SCHEMBL30549500 0.76 TRPA1 (0.64) TRPA1ARCREBBPUSP7BRD4
Hydrochloric Acid SCHEMBL30549506 0.75 TRPA1 (0.63) TRPA1ARCREBBPUSP7BRD4
SCHEMBL13547918 0.74 CTNNB1 (0.51) TRPA1CCNCCDK8
SCHEMBL23638931 0.74 TRPA1 (0.60) TRPA1ARCREBBPUSP7APP
SCHEMBL31378486 0.72 TRPA1 (0.59) TRPA1ARCREBBPUSP7BRD4
SCHEMBL13106087 0.72 BRD4 (0.54) TRPA1ARBRD4
SCHEMBL21464284 0.71 TRPA1 (0.58) TRPA1ARCREBBPUSP7BRD4

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 TRPA1 3770/4885AR 3436/4885CREBBP 1650/4885

“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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