SCHEMBL1072606

SCHEMBL1072606

NC12CC3CC(F)(C1)CC(F)(C3)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.46
GRIN2A Q12879 6/20 0.46
GRIN2D O15399 5/20 0.46
GRIN3B O60391 5/20 0.46
GRIN2B Q13224 5/20 0.46
GRIN2C Q14957 5/20 0.46
GRIN3A Q8TCU5 5/20 0.46
LMNA P02545 4/20 0.46
SLC22A1 O15245 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP2C9 P11712 2/20 0.46
ESR1 P03372 1/20 0.46
ADRB3 P13945 1/20 0.46
ACHE P22303 1/20 0.46
OPRK1 P41145 1/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13550955 0.83 EPHX2 (0.33) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15922467 0.77 PKM (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15922465 0.77 PKM (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1073665 0.77 PKM (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4851089 0.76 GRIN1 (0.62) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Hydrochloric Acid SCHEMBL27730223 0.75 LMNA (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12604983 0.72
SCHEMBL1074133 0.70
Iodide SCHEMBL23880344 0.69
Hydrochloric Acid SCHEMBL17453367 0.69

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870757-A2 Fluoro-substituted adamantane derivatives PFIZER INC. (US) 1998-10-14 EP claimed
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
US-6057364-A USED FOR TREATING NEUROLOGICAL DISORDERS, SUCH AS MEMORY LOSS AND PARKINSON'S DISEASE, AND BACTERIAL AND VIRAL INFECTIONS PFIZER INC (US) 2000-05-02 US disclosed
EP-0870757-A2 Fluoro-substituted adamantane derivatives PFIZER INC. (US) 1998-10-14 EP 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT GRIN1 221/4885GRIN2A 80/4885GRIN2D 320/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 GRIN1 4826/4885GRIN2A 4854/4885GRIN2D 4867/4885

“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.