SCHEMBL7201899

SCHEMBL7201899

COc1ccc2c(c1)OC(CNC(C)=O)=CO2

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.56
MTNR1B P49286 8/20 0.47
NQO2 P16083 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7198759 0.84 MTNR1A (0.52) MTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL7201865 0.84 MTNR1A (0.52) MTNR1AMTNR1BSMN1; SMN2HTR2C
SCHEMBL7021029 0.82 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL7021424 0.81 MTNR1A (0.48) MTNR1AMTNR1BNQO2SMN1; SMN2CYP1A2
SCHEMBL8113907 0.80 AKR1C2 (0.47) MTNR1ASMN1; SMN2CYP1A2
SCHEMBL7198985 0.79 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL7199329 0.76 LOXL2 (0.36) MTNR1ASMN1; SMN2HTR2B
SCHEMBL7204042 0.75 TSHR (0.43) MTNR1ASMN1; SMN2CYP1A2
SCHEMBL7027054 0.74 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL7198597 0.72 MTNR1A (1.00) MTNR1AMTNR1BSMN1; SMN2CYP1A2

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 2/4885NQO2 119/4885

“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.