SCHEMBL4748903

SCHEMBL4748903

CC(C)(C)C1CCc2cc(F)ccc2N1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.49
LMNA P02545 1/20 0.49
PDK1 Q15118 7/20 0.48
PDK2 Q15119 7/20 0.48
PDK3 Q15120 7/20 0.48
PDK4 Q16654 7/20 0.48
HSP90AA1 P07900 2/20 0.48
NOTUM Q6P988 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4948957 0.84 NOTUM (0.46) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL14575084 0.76 ATAD2 (0.44) MAPK1MEN1KMT2APDK1PDK2
SCHEMBL3457232 0.71 ALDH1A1 (0.72) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL1994565 0.69 NR1H2 (0.39) ALDH1A1HTTNPC1RAB9AMEN1
SCHEMBL14321151 0.69 PDK1 (0.39) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL22835563 0.69 LMNA (0.37) LMNA
SCHEMBL1650576 0.69 PDK1 (0.62) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL3456458 0.68 MAPK1 (0.73) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL9655736 0.68 MAPK1 (0.60) MAPK1ALDH1A1HTTNPC1RAB9A
SCHEMBL7981548 0.67 NOTUM (0.73) ALDH1A1HTTNPC1RAB9ALMNA

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B MAPK1 2185/4885ALDH1A1 1887/4885HTT 1429/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B MAPK1 2185/4885ALDH1A1 1887/4885HTT 1429/4885

“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.