SCHEMBL4893070

SCHEMBL4893070

CCOC(=O)c1c(N)nc(CC)n1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPK1 P28482 2/20 0.35
PKM P14618 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
SCHEMBL4887516 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL14511612 0.79 TLR7 (0.34) ALDH1A1HTTSMN1; SMN2LMNAADORA3
SCHEMBL3228644 0.78 KMT2A (0.45) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL4895350 0.76 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4889734 0.74 TLR7 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL4893882 0.72 CNR2 (0.42) ALDH1A1KDM4EHPGDHTTRAB9A
SCHEMBL3228381 0.72 DAPK3 (0.42) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL8940806 0.67 TSHR (0.48) ALDH1A1KDM4ESMN1; SMN2L3MBTL1LMNA
SCHEMBL10846139 0.66 KMT2A (0.45) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL2843820 0.64 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHTTRECQL

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
CN-101341131-A Imidazoles as gaba-b receptor modulators ASTRAZENECA AB (SE) 2009-01-07 CN claimed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
CN-101341131-A Imidazoles as gaba-b receptor modulators ASTRAZENECA AB (SE) 2009-01-07 CN disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 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 (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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 ALDH1A1 1448/4885KDM4E 2544/4885HPGD 2046/4885

“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.