SCHEMBL5344775

SCHEMBL5344775

COC(=O)c1ccc(-c2ccc(OCCCCOc3cnc4[nH]cc(CCNC(C)=O)c4c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.65
MTNR1B P49286 19/20 0.65
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A1 P04798 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
NQO2 P16083 1/20 0.50
HTR2B P41595 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1B1 Q16678 1/20 0.50
NOTUM Q6P988 1/20 0.50

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
SCHEMBL5344811 0.92 MTNR1A (0.64) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL5340177 0.86 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1NQO2
SCHEMBL5344738 0.84 MTNR1A (0.74) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL7018000 0.84 MTNR1A (0.74) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL5346659 0.82 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL7015312 0.80 MTNR1A (0.67) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL7016697 0.80 MTNR1A (0.70) MTNR1AMTNR1BNQO2
SCHEMBL7015011 0.80 MTNR1A (0.76) MTNR1AMTNR1B
SCHEMBL8135627 0.80 MTNR1A (1.00) MTNR1AMTNR1BKDM4EMEN1ALDH1A1
SCHEMBL5348439 0.78 MTNR1A (0.56) MTNR1AMTNR1BKDM4EMEN1ALDH1A1

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 3 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
US-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2004-01-22 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-20040014969-A1 Substituted biphenyl derivatives, method for preparing same and pharmaceutical compositions containing same MTNR1A, MTNR1B, MC2R MTNR1A 1/4885MTNR1B 2/4885KDM4E 3227/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 MTNR1A 1/4885MTNR1B 2/4885KDM4E 3391/4885

“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.