SCHEMBL14431024

SCHEMBL14431024

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 13/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ BCDIN3D Q7Z5W3 1/20 0.39

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
SCHEMBL5478765 1.00 GRIN2B (0.42) GRIN2BKDM4EPKMGPR119PRMT5
SCHEMBL5478767 1.00 GRIN2B (0.42) GRIN2BKDM4EPKMGPR119PRMT5
SCHEMBL8294105 0.91 GRIN2B (0.35) GRIN2BPRMT5CCNA2CDK2
SCHEMBL5478744 0.89 GRIN2B (0.40) GRIN2B
SCHEMBL5477983 0.89 GRIN2B (0.40) GRIN2B
SCHEMBL8292639 0.89 GRIN2B (0.40) GRIN2B
SCHEMBL6021793 0.89 GRIN2B (0.41) GRIN2BCCNA2CDK2
SCHEMBL6021795 0.89 GRIN2B (0.41) GRIN2BCCNA2CDK2
SCHEMBL5477801 0.87 GRIN2B (0.41) GRIN2BKDM4EPKMGPR119PRMT5
SCHEMBL14431020 0.87 GRIN2B (0.41) GRIN2BKDM4EPKMGPR119PRMT5

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-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

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 2653/4885KDM4E 2717/4885PKM 68/4885

“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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