SCHEMBL7201865

SCHEMBL7201865

CCCNC(=O)NCC1=COc2ccc(OC)cc2O1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.52
MTNR1B P49286 6/20 0.42
HTR2C P28335 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38

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
SCHEMBL7101195 0.88 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL7098613 0.84 MTNR1A (0.40) MTNR1ATP53
SCHEMBL7201899 0.84 MTNR1A (0.56) MTNR1AMTNR1BHTR2CSMN1; SMN2
SCHEMBL7198759 0.79 MTNR1A (0.52) MTNR1AMTNR1BTP53SMN1; SMN2
SCHEMBL7021424 0.76 MTNR1A (0.48) MTNR1AMTNR1BTP53SMN1; SMN2
SCHEMBL8113907 0.75 AKR1C2 (0.47) MTNR1ASMN1; SMN2
SCHEMBL8135950 0.74 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL5349885 0.74 MTNR1A (0.51) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL5338460 0.74 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL7204042 0.73 TSHR (0.43) MTNR1ANPC1RAB9ASMN1; SMN2

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 1/4885MTNR1B 2/4885HTR2C 112/4885

“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.