SCHEMBL22600415

SCHEMBL22600415

CC(C)c1nnc(CN)o1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ATR Q13535 1/20 0.32
EPHX2 P34913 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
SCHEMBL1786847 0.83 ATR (0.35) GRIN1GRIN2BATR
SCHEMBL25017779 0.79 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL7649809 0.79 S1PR1 (0.34) GRIN1GRIN2B
SCHEMBL19969081 0.78 NOTUM (0.37) NOTUM
SCHEMBL7602053 0.77 ELANE (0.33)
SCHEMBL13856441 0.77 NOTUM (0.42) NOTUMEPHX2
SCHEMBL19229031 0.77 BRD4 (0.30)
SCHEMBL11325095 0.77 ALDH1A1 (0.42) NOTUMGRIN1GRIN2B
SCHEMBL19969061 0.77 POLB (0.43) NOTUMATR
SCHEMBL12299809 0.76 MAPT (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-06-07 US disclosed
US-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2020-10-29 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 (2 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-20200339547-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 NOTUM 934/4885GRIN1 91/4885GRIN2B 146/4885
US-11352344-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 NOTUM 1092/4885GRIN1 84/4885GRIN2B 112/4885

“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.