SCHEMBL6076957

SCHEMBL6076957

CNC(=O)CCCc1coc2ccc(S(=O)(=O)C3CCCCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.42
MTNR1B P49286 6/20 0.41
NQO2 P16083 2/20 0.41
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MPO P05164 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
SCHEMBL6077000 0.79 MTNR1A (0.42) MTNR1AMTNR1BNQO2MEN1LMNA
SCHEMBL5340289 0.76 MTNR1A (0.48) MTNR1AMTNR1BNQO2MAPTTHRB
SCHEMBL5339533 0.75 MTNR1A (0.47) MTNR1AMTNR1BNQO2MPO
SCHEMBL5342533 0.75 MTNR1A (0.47) MTNR1AMTNR1BNQO2MPO
SCHEMBL7014862 0.70 HPGD (0.50) MTNR1AMTNR1BNQO2MEN1LMNA
SCHEMBL7023719 0.69 MTNR1A (0.60) MTNR1AMTNR1BNQO2MAPTPOLB
SCHEMBL5344049 0.69 NQO2 (0.47) MTNR1AMTNR1BNQO2MAPTTHRB
SCHEMBL7153994 0.69 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL7019210 0.68 MTNR1A (0.49) MTNR1AMTNR1BNQO2MAPTTHRB
SCHEMBL6076897 0.67 MTNR1A (0.48) MTNR1AMTNR1BNQO2MAPTLMNA

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 414/4885NQO2 66/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885NQO2 66/4885

“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.