SCHEMBL493717

SCHEMBL493717

CC(Oc1ccccc1)C(=O)NCC1CCC(C(c2ccc(F)cc2)N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
PTGIR P43119 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL493195 0.93 GAA (0.46) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL493447 0.90 GAA (0.46) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL492809 0.90 POLB (0.47) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL493131 0.90 MEN1 (0.47) GAAMEN1KMT2AATMGPR88
SCHEMBL493241 0.85 TSHR (0.48) GAAALDH1A1MEN1KMT2AATM
SCHEMBL492546 0.83 GAA (0.50) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL492662 0.82 GAA (0.42) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL1327958 0.79 HDAC3 (0.46)
SCHEMBL493639 0.77 MAPT (0.44) GAAPOLBALDH1A1MEN1KMT2A
SCHEMBL2305686 0.77 PTGIR (0.43) ALDH1A1MEN1KMT2AGPR88PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD GAA 445/4885POLB 2120/4885ALDH1A1 1349/4885

“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.