SCHEMBL5344436

SCHEMBL5344436

CC(=O)NCC1COc2ccc3c(c2C1)C(=O)CC(=O)N3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 7/20 0.50
▸ TRPV1 Q8NER1 1/20 0.40
▸ MTNR1B P49286 4/20 0.37
▸ DRD2 P14416 6/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SMYD3 Q9H7B4 3/20 0.35
▸ BUB1 O43683 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ HTR1B P28222 1/20 0.31

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
SCHEMBL5339410 0.83 MTNR1A (0.52) MTNR1ATRPV1MTNR1BDRD2SLC6A4
SCHEMBL5351711 0.82 MTNR1A (0.51) MTNR1ATRPV1MTNR1BDRD2SLC6A4
SCHEMBL5228827 0.67 MTNR1A (1.00) MTNR1AMTNR1BHTR2B
SCHEMBL19658437 0.67 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL5344278 0.66 MTNR1A (0.72) MTNR1ATRPV1MTNR1B
SCHEMBL5346519 0.65 MTNR1A (0.70) MTNR1ATRPV1MTNR1B
SCHEMBL5334595 0.65 MTNR1A (0.70) MTNR1ATRPV1MTNR1B
SCHEMBL6076652 0.65 MTNR1A (0.70) MTNR1ATRPV1MTNR1B
SCHEMBL5346165 0.65 MTNR1A (0.70) MTNR1ATRPV1MTNR1B
SCHEMBL5261920 0.64 MTNR1A (1.00) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2408/4885MTNR1B 325/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885TRPV1 2372/4885MTNR1B 340/4885

“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.

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