SCHEMBL5337710

SCHEMBL5337710

CC(=O)NCCc1coc2ccc(C(=O)O)cc12

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.79
MTNR1A P48039 15/20 0.77
NQO2 P16083 5/20 0.77

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
Hydrochloric Acid SCHEMBL5339402 0.99 MTNR1B (0.77) MTNR1BMTNR1ANQO2
SCHEMBL5339396 0.88 MTNR1B (0.77) MTNR1BMTNR1ANQO2
SCHEMBL5338280 0.88 MTNR1B (1.00) MTNR1BMTNR1ANQO2
SCHEMBL5338262 0.87 MTNR1A (1.00) MTNR1BMTNR1ANQO2
SCHEMBL5342504 0.87 NQO2 (1.00) MTNR1BMTNR1ANQO2
SCHEMBL7830521 0.85 NQO2 (0.67) MTNR1BMTNR1ANQO2
SCHEMBL5346051 0.84 MTNR1A (0.74) MTNR1BMTNR1ANQO2
SCHEMBL5343419 0.84 MTNR1A (0.70) MTNR1BMTNR1ANQO2
SCHEMBL5340186 0.83 MTNR1A (0.69) MTNR1BMTNR1ANQO2
SCHEMBL5340422 0.83 MTNR1B (0.73) MTNR1BMTNR1ANQO2

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 8 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-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 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
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-6605632-B1 Affinity for melatonin receptors LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 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 (4 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 MTNR1B 2/4885MTNR1A 1/4885NQO2 406/4885
US-20070123529-A1 Substituted biphenyl compounds MTNR1A, MTNR1B, CNR1 MTNR1B 2/4885MTNR1A 1/4885NQO2 522/4885
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1B 325/4885MTNR1A 388/4885NQO2 492/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1B 340/4885MTNR1A 409/4885NQO2 450/4885

“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.