SCHEMBL6076985

SCHEMBL6076985

CCCCNC(=O)NSCCc1cccc2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.56
MTNR1B P49286 2/20 0.56
NQO2 P16083 3/20 0.50
TRPV1 Q8NER1 3/20 0.43

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
SCHEMBL7105897 0.86 MTNR1A (0.70) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL9126868 0.79 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6076990 0.77 MTNR1A (0.63) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL5334577 0.75 MTNR1A (0.85) MTNR1AMTNR1BNQO2
SCHEMBL7098615 0.75 MTNR1A (0.76) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL6075316 0.74 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL5349352 0.74 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL6075441 0.74 MTNR1A (0.62) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL26059358 0.73 CYP3A4 (0.57) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL30449793 0.72 MTNR1A (1.00) 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.