SCHEMBL6077489

SCHEMBL6077489

CCC=CC(=S)Oc1ccc2ccccc2c1CCNC(=O)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL8705200 0.80 MTNR1A (0.58) MTNR1AMTNR1BSLC2A1
SCHEMBL8873933 0.80 MTNR1A (0.58) MTNR1AMTNR1BSLC2A1
SCHEMBL6077487 0.79 MTNR1A (0.43) MTNR1AMTNR1BSLC2A1
SCHEMBL6077494 0.74 MTNR1A (0.42) MTNR1AMTNR1BSLC2A1
SCHEMBL5344998 0.72 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL7848652 0.71 MTNR1A (0.43) MTNR1AMTNR1BSLC2A1
SCHEMBL5351881 0.71 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL6076454 0.71 MTNR1A (0.49) MTNR1AMTNR1BSLC2A1
SCHEMBL5343898 0.71 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL6075796 0.68 MTNR1A (0.47) MTNR1AMTNR1BSLC2A1

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 NCEH1 3796/4885MTNR1A 465/4885MTNR1B 414/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR NCEH1 3796/4885MTNR1A 465/4885MTNR1B 414/4885

“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.