SCHEMBL5231199

SCHEMBL5231199

COc1ccc2ccc3c(c2c1)CC(CNC(=O)C1CCCCC1)CO3

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.75
MTNR1B P49286 7/20 0.53
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5228827 0.86 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5229686 0.84 MTNR1A (0.78) MTNR1AMTNR1BKDM4EMEN1CYP1A2
SCHEMBL5229036 0.82 MTNR1A (0.74) MTNR1ATP53
SCHEMBL5225598 0.76 MTNR1A (0.65) MTNR1ATP53
SCHEMBL19313389 0.75 MTNR1A (0.64) MTNR1A
SCHEMBL7202817 0.74 MTNR1A (0.66) MTNR1ATP53
SCHEMBL5224790 0.72 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5336888 0.69 MTNR1A (0.56) MTNR1ADRD2DRD3KDM4EKMT2A
SCHEMBL9491591 0.69 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL19313357 0.69 MTNR1A (0.61) MTNR1A

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 1/4885MTNR1B 2/4885DRD2 223/4885

“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.