SCHEMBL6357919

SCHEMBL6357919

CC(C)N(C(=O)C(c1ccccc1)n1nnnc1Cc1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DAGLA Q9Y4D2 2/20 0.43
TRPV1 Q8NER1 4/20 0.42
CNR2 P34972 1/20 0.40
KCNA5 P22460 3/20 0.39
GHSR Q92847 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4405441 0.74 CNR2 (0.52) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL15038853 0.69 MGLL (0.48) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL2183633 0.69 MGLL (0.85) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL28017015 0.67 ALDH1A1 (0.44) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL9643255 0.66 MGLL (0.59) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL11335075 0.64 CYP19A1 (0.50) MGLLFAAHKCNA5
SCHEMBL2092704 0.64 CNR2 (0.54) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL4409159 0.64 CNR2 (0.83) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL96013 0.64 FAAH (0.39) MGLLFAAHALDH1A1DAGLATRPV1
SCHEMBL18496450 0.64 LMNA (0.42) MGLLALDH1A1GHSR

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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 MGLL 3162/4885FAAH 2701/4885ALDH1A1 1194/4885

“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.