SCHEMBL1082075

SCHEMBL1082075

C(CNC12CC3CC(CC(C3)C1)C2)CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.50
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
DPP4 P27487 2/20 0.41
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.41
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL3188537 0.89 GRIN2D (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23934062 0.86 GRIN2D (0.48) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11922812 0.86 EPHX2 (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19798760 0.86 EPHX2 (0.58) EPHX2DPP4HTT
SCHEMBL4562108 0.84 EPHX2 (0.56) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1677960 0.84 EPHX2 (0.47) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25346319 0.84 GRIN2D (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1149892 0.83 EPHX2 (0.58) EPHX2
SCHEMBL30956906 0.83 EPHX2 (0.44) EPHX2
SCHEMBL1567819 0.83 EPHX2 (0.58) EPHX2

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 6 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
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 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 (3 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT EPHX2 1794/4885GRIN2D 320/4885GRIN3B 110/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 EPHX2 1373/4885GRIN2D 4867/4885GRIN3B 4541/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 EPHX2 1373/4885GRIN2D 4867/4885GRIN3B 4541/4885

“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.