SCHEMBL6741052

SCHEMBL6741052

CCCCC1OC(=O)c2cc(NC(=O)C(CCC)CCC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
MAOB P27338 14/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MAOA P21397 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL6737575 0.89 ABCB1 (0.52) ABCB1MAOBMAOA
SCHEMBL6740461 0.86 ABCB1 (0.53) ABCB1MAOBMAOA
SCHEMBL6742472 0.85 ABCB1 (0.58) ABCB1MAOBMAOA
SCHEMBL6737479 0.84 ABCB1 (0.60) ABCB1MAOBMAOA
SCHEMBL6742959 0.83 ABCB1 (0.61) ABCB1MAOBMAOA
SCHEMBL6739520 0.83 ABCB1 (0.56) ABCB1MAOBMAOA
SCHEMBL6744428 0.81 ABCB1 (0.57) ABCB1MAOBMAOA
SCHEMBL6744484 0.81 ABCB1 (0.54) ABCB1MAOBMAOA
SCHEMBL6737859 0.81 ABCB1 (0.56) ABCB1MAOBMAOA
SCHEMBL6741749 0.81 ABCB1 (0.54) ABCB1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689808-B2 TREATING OR PREVENTING EPILEPSY OR NEURODEGENERATIVE DISEASES LES LABORATOIRES SERVIER (FR) 2004-02-10 US disclosed
US-20030220393-A1 Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-11-27 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-20030220393-A1 Substituted phthalides, a process for their preparations and pharmaceutical compositions containing them NR5A2, NR2E3, NR4A1 ABCB1 1291/4885MAOB 1112/4885TAS1R3 2848/4885

“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.