SCHEMBL1888930

SCHEMBL1888930

CC(N)COC12CC3CC(C1)CC(OCC(C)O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11637984 0.81 SLC22A2 (0.45) SLC22A2SLC47A1GRIN2DGRIN3BGRIN1
SCHEMBL1889456 0.77 LMNA (0.32)
SCHEMBL4758364 0.71 MEN1 (0.32)
SCHEMBL10228455 0.70 PKM (0.39)
SCHEMBL10224664 0.67 CYP17A1 (0.31)
SCHEMBL6904418 0.67 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19809081 0.67 PKM (0.31)
SCHEMBL13237517 0.66
SCHEMBL6860899 0.65 NPSR1 (0.39) SLC22A2SLC47A1GRIN2DGRIN3BGRIN1
SCHEMBL15256856 0.65 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939682-B2 Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same IDEMITSU KOSAN CO., LTD. (JP) 2011-05-10 US disclosed
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-11 US disclosed
EP-1950190-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-30 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 (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-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME TAS1R1, ADORA1, TAS2R1 SLC22A2 1980/4885SLC47A1 1103/4885GRIN2D 754/4885

“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.