SCHEMBL3252002

SCHEMBL3252002

CC(C)OCC1(OC(=O)C(F)(F)F)NC(c2ccccc2)C(c2ccccc2)N1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CTRB1 P17538 1/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.30
ABCB1 P08183 1/20 0.30
ITGAL P20701 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL3258301 0.87 GAA (0.38) GAACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3254116 0.80 RORC (0.33) TACR1
SCHEMBL3255036 0.80 GAA (0.34) GAACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3250688 0.79 ALDH1A1 (0.38) GAARAB9ALMNAALDH1A1L3MBTL1
SCHEMBL3251167 0.78 P2RX7 (0.36) GAACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3253146 0.78 SMN1; SMN2 (0.37) GAARAB9AADORA3ALDH1A1L3MBTL1
SCHEMBL3254751 0.78 TDP1 (0.35) GAALMNAALDH1A1CYP2D6TDP1
SCHEMBL3253211 0.78 TDP1 (0.35) GAALMNAALDH1A1CYP2D6TDP1
SCHEMBL3255866 0.78 TDP1 (0.35) GAALMNAALDH1A1CYP2D6TDP1
SCHEMBL3253786 0.77 GAA (0.33) GAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 GAA 4232/4885APOBEC3A 3961/4885APOBEC3G 3466/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 GAA 4232/4885APOBEC3A 3961/4885APOBEC3G 3466/4885

“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.