SCHEMBL23005285

SCHEMBL23005285

CC(C)(C#N)c1ccc([Mg]Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
ROCK1 Q13464 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
SCHEMBL21222963 0.80
SCHEMBL21222933 0.79
SCHEMBL4573186 0.77 CHRNA7 (0.44) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL1478398 0.74 CHRNA7 (0.46) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL31718069 0.74 CHRNA7 (0.46) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL21227047 0.73 CHRNA7 (0.44) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL20304972 0.73 CHRNA7 (0.44) CHRNA7
SCHEMBL358552 0.73 CHRNA7 (0.51) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL1403854 0.73 CHRNA7 (0.44) CHRNA7JAK2ROCK2PRKCAPRKCQ
SCHEMBL21223940 0.72 TRPV4 (0.52)

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-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 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-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 CHRNA7 1118/4885JAK2 1552/4885ROCK2 3910/4885

“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.