SCHEMBL7198985

SCHEMBL7198985

CC(=O)NCC1=COc2ccccc2O1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.73
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
ELANE P08246 1/20 0.38
KMT2A Q03164 1/20 0.37
SETDB1 Q15047 1/20 0.36
MTNR1B P49286 2/20 0.36

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
SCHEMBL7203743 0.84 MTNR1A (1.00) MTNR1ASCN1ASCN2ASCN3AKMT2A
SCHEMBL7021029 0.82 MTNR1A (0.51) MTNR1ANPSR1KMT2AMTNR1B
SCHEMBL7201899 0.79 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL17002620 0.73 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3ANPSR1
SCHEMBL7202654 0.72 MTNR1A (0.70) MTNR1ANPSR1ELANEKMT2ASETDB1
SCHEMBL7203724 0.72 MTNR1A (0.72) MTNR1ASCN1ASCN2ASCN3AKMT2A
SCHEMBL7204577 0.71 MTNR1A (0.51) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL10702200 0.71 MTNR1A (0.46) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7198383 0.69 MTNR1A (1.00) MTNR1ANPSR1ELANEKMT2ASETDB1
SCHEMBL6555327 0.68 MTNR1A (0.57) MTNR1ASCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO 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 1/4885SCN1A 1081/4885SCN2A 1109/4885

“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.