SCHEMBL5591978

SCHEMBL5591978

CCN(CC)C(=O)c1ccc(NCCC(C)C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
PLEC Q15149 1/20 0.48
PTGER4 P35408 3/20 0.46
HSP90AA1 P07900 4/20 0.46
HSP90AB1 P08238 4/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRSS1 P07477 8/20 0.43
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5104664 0.86 PTGER4 (0.43) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL5881658 0.83 HPGD (0.49) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL7224988 0.82 PRKCI (0.58) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL5882076 0.82 PTGER4 (0.70) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL5881696 0.82 HPGD (0.48) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL5881752 0.81 HSP90AA1 (0.45) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL6649398 0.81 HPGD (0.47) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL5591690 0.81 HCAR3 (0.56) ALDH1A1MAPTPTGER4LMNAPRSS1
SCHEMBL5881747 0.80 HDAC6 (0.51) HPGDKDM4EALDH1A1GAAMAPT
SCHEMBL22931144 0.80 PTGER4 (0.71) HPGDKDM4EALDH1A1GAAMAPT

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
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 HPGD 461/4885KDM4E 4683/4885ALDH1A1 1314/4885

“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.