SCHEMBL5348486

SCHEMBL5348486

CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ncc(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.64
MTNR1B P49286 16/20 0.64
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
HPGD P15428 3/20 0.64
CYP2C19 P33261 3/20 0.64
TSHR P16473 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP2C9 P11712 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL6077264 0.82 MTNR1A (0.75) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9302251 0.82 MTNR1A (0.77) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
Luzindole SCHEMBL4869000 0.78 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL6076572 0.77 MTNR1A (0.54) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL5348439 0.77 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9304093 0.75 MTNR1A (0.75) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9304037 0.73 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9401161 0.70 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
Luzindole SCHEMBL9118261 0.70 MEN1 (0.81) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL6076899 0.70 MTNR1A (0.45) MTNR1AMTNR1BCYP1A2CYP3A4HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123529-A1 Substituted biphenyl compounds LES LABORATOIRES SERVIER (FR) 2007-05-31 US disclosed
US-7161035-B2 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-01-09 US disclosed
CN-1233621-C Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2005-12-28 CN disclosed
US-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2004-01-22 US disclosed
CN-1457337-A Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2003-11-19 CN disclosed
CN-1128142-C Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2003-11-19 CN disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP 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-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same MTNR1A, MTNR1B, MC2R MTNR1A 1/4885MTNR1B 2/4885CYP1A2 106/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 MTNR1A 1/4885MTNR1B 2/4885CYP1A2 143/4885

“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.