SCHEMBL5336254

SCHEMBL5336254

COC(=O)Nc1ccc2c(c1)CC(CNC(C)=O)CO2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.70
TRPV1 Q8NER1 1/20 0.48
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
MALT1 Q9UDY8 1/20 0.45
RORC P51449 2/20 0.42
NQO2 P16083 2/20 0.41
MTNR1B P49286 2/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5261920 0.82 MTNR1A (1.00) MTNR1AMTNR1BTP53POLB
SCHEMBL5344278 0.81 MTNR1A (0.72) MTNR1ATRPV1ITGB3ITGA2BMTNR1B
SCHEMBL5343316 0.80 MTNR1A (0.56) MTNR1ATRPV1ITGB3ITGA2BMALT1
SCHEMBL5334595 0.80 MTNR1A (0.70) MTNR1ATRPV1ITGB3ITGA2BMTNR1B
SCHEMBL5346165 0.80 MTNR1A (0.70) MTNR1ATRPV1ITGB3ITGA2BMTNR1B
SCHEMBL5346519 0.80 MTNR1A (0.70) MTNR1ATRPV1MALT1MTNR1BPOLB
SCHEMBL6076652 0.80 MTNR1A (0.70) MTNR1ATRPV1ITGB3ITGA2BMALT1
SCHEMBL7822666 0.77 MTNR1A (0.77) MTNR1ATRPV1ITGB3ITGA2BMTNR1B
SCHEMBL19658437 0.76 MTNR1A (0.65) MTNR1AMALT1MTNR1BTP53
SCHEMBL7027043 0.75 MTNR1A (0.72) MTNR1ATRPV1RORCTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US claimed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US claimed
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 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

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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885TRPV1 2408/4885ITGB3 3090/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885TRPV1 2372/4885ITGB3 3022/4885

“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.