SCHEMBL6077501

SCHEMBL6077501

C=CC(=O)NCCc1csc2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.53
MTNR1B P49286 8/20 0.53
NQO2 P16083 1/20 0.45
MAOB P27338 1/20 0.42
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SPR P35270 1/20 0.40
BLM P54132 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6076415 0.86 NQO2 (0.63) MTNR1AMTNR1BNQO2SPR
SCHEMBL6076266 0.86 KEAP1 (0.56) MTNR1AMTNR1BMAPT
SCHEMBL7099154 0.85 MTNR1A (0.55) MTNR1AMTNR1BNQO2MAOBIDO1
SCHEMBL5347056 0.84 MTNR1A (0.74) MTNR1AMTNR1BIDO1KDM4EALDH1A1
SCHEMBL7025435 0.82 SPR (0.58) MTNR1AMTNR1BNQO2IDO1KDM4E
SCHEMBL27540716 0.82 MTNR1A (0.57) MTNR1AMTNR1BNQO2IDO1KDM4E
SCHEMBL6077600 0.82 MTNR1A (0.73) MTNR1AMTNR1BIDO1KDM4EALDH1A1
SCHEMBL6077096 0.81 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL6075828 0.81 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL5340167 0.80 MTNR1A (0.71) MTNR1AMTNR1BSPR

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.