SCHEMBL3749424

SCHEMBL3749424

Nc1ccncc1C(=O)N1CC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
RBP4 P02753 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SPR P35270 1/20 0.35

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
SCHEMBL15402054 0.88 KDM4E (0.51) KDM4EALDH1A1TDP1MEN1KDM6B
SCHEMBL22684100 0.79 GAA (0.41) MEN1KMT2APDE10APIK3C3GAA
SCHEMBL15401822 0.77 PIK3C3 (0.48) KDM4EALDH1A1TDP1MEN1KDM6B
SCHEMBL30431543 0.75 CYP3A4 (0.51) ALDH1A1GAA
SCHEMBL24569276 0.72 PIK3C3 (0.44) PDE10APIK3C3SLC22A12SPRADORA2A
SCHEMBL22702046 0.72 POLB (0.56) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL24568979 0.71 ALDH1A1 (0.47) ALDH1A1PDE10APIK3C3SPRADORA2A
SCHEMBL11098872 0.70 KDM4C (0.61) KDM4EALDH1A1TDP1MEN1KDM6B
SCHEMBL15402335 0.70 KDM4E (0.47) KDM4EALDH1A1TDP1MEN1KDM6B
SCHEMBL244632 0.69 KDM4C (0.70) KDM4EALDH1A1TDP1MEN1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KDM4E 2443/4885ALDH1A1 1504/4885TDP1 4452/4885

“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.