SCHEMBL5229036

SCHEMBL5229036

COc1ccc2c(c1)CC(CNC(=O)C1CCC1)CO2

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.74
TP53 P04637 6/20 0.58
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.47

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 0.85 MTNR1A (1.00) MTNR1ATP53LMNAPOLB
SCHEMBL5231199 0.82 MTNR1A (0.75) MTNR1ATP53
SCHEMBL5227633 0.81 MTNR1A (0.76) MTNR1ATP53LMNA
SCHEMBL6075535 0.79 MTNR1A (0.53) MTNR1ATP53LMNA
SCHEMBL5228871 0.76 MTNR1A (1.00) MTNR1ATP53LMNAPOLB
SCHEMBL5228137 0.76 MTNR1A (0.67) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL17888019 0.74 MTNR1A (0.64) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL5229040 0.74 MTNR1A (0.47) MTNR1A
SCHEMBL7822666 0.73 MTNR1A (0.77) MTNR1ATP53LMNAPOLB
SCHEMBL5227854 0.73 MTNR1A (0.63) MTNR1ATP53LMNAPOLBMAPT

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
EP-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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 (1 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885TP53 4723/4885LMNA 3117/4885

“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.