SCHEMBL6076897

SCHEMBL6076897

CCNC(=S)Nc1ccc2occ(CCCC(=O)NC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.48
MTNR1B P49286 6/20 0.48
NQO2 P16083 5/20 0.47
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5342828 0.87 MTNR1B (0.45) MTNR1AMTNR1BNQO2MAPTTP53
SCHEMBL6076893 0.82 MTNR1A (0.48) MTNR1AMTNR1BNQO2MAPTTP53
SCHEMBL5344049 0.81 NQO2 (0.47) MTNR1AMTNR1BNQO2MAPTTP53
SCHEMBL5340289 0.77 MTNR1A (0.48) MTNR1AMTNR1BNQO2MAPTSMN1; SMN2
SCHEMBL5342533 0.76 MTNR1A (0.47) MTNR1AMTNR1BNQO2
SCHEMBL5339533 0.76 MTNR1A (0.47) MTNR1AMTNR1BNQO2
SCHEMBL7019210 0.70 MTNR1A (0.49) MTNR1AMTNR1BNQO2LMNAMAPT
SCHEMBL6077000 0.68 MTNR1A (0.42) MTNR1AMTNR1BNQO2LMNA
SCHEMBL6076957 0.67 MTNR1A (0.42) MTNR1AMTNR1BNQO2LMNAMAPT
SCHEMBL5343420 0.66 NQO2 (0.78) MTNR1AMTNR1BNQO2

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.