SCHEMBL7201065

SCHEMBL7201065

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 1.00
ALOX5 P09917 7/20 0.61
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
HSP90AA1 P07900 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.52
SHMT2 P34897 1/20 0.51
MAOB P27338 2/20 0.48
MAPK1 P28482 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL5225146 0.86 MTNR1A (1.00) MTNR1AALOX5MAPTMEN1HSP90AA1
Hydrochloric Acid SCHEMBL9729584 0.84 MTNR1A (0.73) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL7199698 0.84 MTNR1A (0.72) MTNR1AALOX5ALOX12
SCHEMBL6075347 0.83 MTNR1A (0.71) MTNR1AALOX5MAPTMEN1HSP90AA1
Urea SCHEMBL9730233 0.81 MTNR1A (0.68) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL7199545 0.80 MTNR1A (0.66) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL12000233 0.78 MTNR1A (0.64) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL7202165 0.77 MTNR1A (0.62) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL7198997 0.77 ALOX5 (0.63) MTNR1AALOX5MAPTMEN1HSP90AA1
SCHEMBL9058391 0.76 MAOB (0.64) MTNR1AALOX5MAPTMEN1HSP90AA1

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 1/4885ALOX5 567/4885MAPT 3970/4885

“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.