SCHEMBL5345247

SCHEMBL5345247

CC(=O)NCCC1CCCc2ccc(OCCCCOc3cccc(-c4cccc(C(=O)O)c4)c3)cc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.66
MTNR1B P49286 12/20 0.66
NQO2 P16083 7/20 0.54
TRPV1 Q8NER1 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL5343877 0.93 MTNR1A (0.64) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7017326 0.88 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7016105 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7970691 0.79 MTNR1A (0.76) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL4266523 0.78 MTNR1A (0.66) MTNR1AMTNR1BNQO2
SCHEMBL7950130 0.78 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7104353 0.78 MTNR1A (0.86) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7943633 0.76 MTNR1A (0.68) MTNR1AMTNR1BNQO2
SCHEMBL7952490 0.74 MTNR1A (0.75) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL7950608 0.74 MTNR1A (0.81) MTNR1AMTNR1BNQO2

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 2/4885NQO2 406/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 MTNR1A 1/4885MTNR1B 2/4885NQO2 522/4885

“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.