SCHEMBL6076677

SCHEMBL6076677

CC(=O)NCCc1csc2ccc(Cl)cc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.72
MTNR1B P49286 6/20 0.72
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
MAPT P10636 1/20 0.53
CYP2A6 P11509 1/20 0.52
CA2 P00918 1/20 0.50
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4323833 0.88 KEAP1 (0.63) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL5347056 0.85 MTNR1A (0.74) MTNR1AMTNR1BMAPT
SCHEMBL6075758 0.84 MTNR1A (0.56) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL6076266 0.84 KEAP1 (0.56) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL6076645 0.84 MTNR1A (0.72) MTNR1AMTNR1BCYP2A6CA2
SCHEMBL28563234 0.84 MTNR1A (0.53) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL6076007 0.84 KEAP1 (0.52) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL6076053 0.83 KEAP1 (0.54) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL27730132 0.83 MTNR1A (0.52) MTNR1AMTNR1BKEAP1NFE2L2MAPT
SCHEMBL1924859 0.83 MTNR1A (0.79) MTNR1AMTNR1BMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KEAP1 1708/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885KEAP1 1708/4885

“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.