SCHEMBL17337979

SCHEMBL17337979

O=C(O)CN(CC(=O)O)C12CC3CC(CC(C3)C1)C2.[Zn]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX7 Q99572 2/20 0.35
EPHX2 P34913 5/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL17337978 0.98 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17338012 0.96 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18844871 0.85 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1539097 0.79 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17338013 0.78 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Zinc Ion SCHEMBL17337980 0.78 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3071615 0.69 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11384463 0.67 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11801976 0.67 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6937606 0.67 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
WO-2015192037-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BUSATH DAVID D (US) 2015-12-17 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 GRIN2D 1193/4885GRIN3B 254/4885GRIN1 390/4885

“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.