SCHEMBL6076572

SCHEMBL6076572

CC(=O)NCCc1c(Cc2ccccc2)n(C)c2ncc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.54
MTNR1B P49286 12/20 0.54
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GFER P55789 1/20 0.43
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 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
SCHEMBL5344485 0.90 MTNR1A (0.43) MTNR1AMTNR1BHPGDKDM4EALDH1A1
SCHEMBL8136831 0.87 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL6076899 0.84 MTNR1A (0.45) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL6076938 0.80 MTNR1A (0.41) MTNR1AMTNR1BHPGDMEN1CYP1A2
SCHEMBL5335717 0.78 MTNR1A (0.40) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL5340639 0.78 MTNR1A (0.40) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL5336253 0.78 CNR2 (0.41) MTNR1AMTNR1B
SCHEMBL6075849 0.78 MTNR1A (0.40) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL5348486 0.77 MTNR1A (0.64) MTNR1AMTNR1BHPGDMEN1CYP1A2
SCHEMBL6075726 0.77 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2CYP3A4TSHR

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 414/4885HPGD 2419/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MTNR1A 465/4885MTNR1B 414/4885HPGD 2419/4885

“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.