SCHEMBL5480629

SCHEMBL5480629

CN(C)CC(=O)N1CCC(CNc2nccc(/C(C#N)=C3/Nc4ccccc4O3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 15/20 0.40
▸ USP30 Q70CQ3 2/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ VCP P55072 1/20 0.34

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
SCHEMBL5476896 1.00 GRIN2B (0.40) GRIN2BUSP30NPY5RVCP
SCHEMBL5477983 0.91 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL5478744 0.91 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL8292639 0.91 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL14442425 0.90 GRIN2B (0.42) GRIN2BNPY5RVCP
SCHEMBL6021793 0.90 GRIN2B (0.41) GRIN2BUSP30VCP
SCHEMBL6021795 0.90 GRIN2B (0.41) GRIN2BUSP30VCP
SCHEMBL5473021 0.87 MAP3K14 (0.38) GRIN2BUSP30VCP
SCHEMBL5473023 0.87 MAP3K14 (0.38) GRIN2BUSP30VCP
SCHEMBL14431024 0.87 GRIN2B (0.42) GRIN2B

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-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US disclosed
US-20070185104-A1 Benzoxazole acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-09 — — US disclosed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 — — WO 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-20070185104-A1 Benzoxazole acetonitriles PKD1, PC, GPR119 GRIN2B 2653/4885USP30 3096/4885NPY5R 92/4885

“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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