SCHEMBL1149893

SCHEMBL1149893

NCCCCCCCCCCCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.95

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.95
GRIN3B O60391 4/20 0.95
GRIN1 Q05586 4/20 0.95
GRIN2A Q12879 4/20 0.95
GRIN2B Q13224 4/20 0.95
GRIN2C Q14957 4/20 0.95
GRIN3A Q8TCU5 4/20 0.95
RAD52 P43351 1/20 0.49
EPHX2 P34913 6/20 0.43
GBA1 P04062 2/20 0.41
GBA2 Q9HCG7 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
DNM1 Q05193 1/20 0.36

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
SCHEMBL10704716 0.98 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21357299 0.91 GRIN2D (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1758707 0.91 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL26103656 0.88 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1758966 0.88 GRIN2D (0.95) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10957944 0.85 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL973650 0.80 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14055075 0.79 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9240799 0.79 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3906551 0.78 GRIN2D (0.61) 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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 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-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GRIN2D 4867/4885GRIN3B 4541/4885GRIN1 4826/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GRIN2D 4867/4885GRIN3B 4541/4885GRIN1 4826/4885

“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.