SCHEMBL7203987

SCHEMBL7203987

NCCC1=COc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
TAAR1 Q96RJ0 8/20 0.37
HTR2A P28223 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
CYP2A6 P11509 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH1 P35367 1/20 0.31
ALOX5 P09917 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
SCHEMBL7203114 0.83 MTNR1A (0.47) MTNR1ASCN1ASCN2ASCN3ALOXL2
SCHEMBL7198607 0.80 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3AALOX5
SCHEMBL6555327 0.80 MTNR1A (0.57) MTNR1ASCN1ASCN2ASCN3AALOX5
SCHEMBL17002620 0.77 MTNR1A (0.53) MTNR1ASCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL7204577 0.75 MTNR1A (0.51) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7203743 0.70 MTNR1A (1.00) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL10862979 0.70 MTNR1A (0.50) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL7200454 0.70 MTNR1A (0.47) MTNR1ASMN1; SMN2
SCHEMBL8971813 0.69 MTNR1A (0.43) MTNR1ASCN1ASCN2ASCN3A
SCHEMBL10861440 0.68 MTNR1A (0.48) 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.