SCHEMBL7201066

SCHEMBL7201066

COc1ccc2c(c1)=COCC=2CNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.48
MTNR1B P49286 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
NQO2 P16083 1/20 0.39

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
SCHEMBL5225148 0.86 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL7199704 0.84 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL6075352 0.83 KDM4E (0.35) MTNR1AMTNR1BCYP1A2
SCHEMBL7199549 0.80 ALDH1A1 (0.33) MTNR1ASMN1; SMN2CYP1A2
SCHEMBL7199002 0.77 MAOB (0.36) SMN1; SMN2
SCHEMBL6076322 0.75 MTNR1A (0.32) MTNR1A
SCHEMBL7203251 0.70 MTNR1A (0.43) MTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL10141758 0.65 APLNR (0.65) MTNR1AMTNR1B
SCHEMBL4712377 0.65 SMN1; SMN2 (0.60) MTNR1AMTNR1BSMN1; SMN2CYP1A2
SCHEMBL19625146 0.65 MTNR1A (0.54) MTNR1AMTNR1BSMN1; 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 2/4885SMN1; SMN2 1990/4885

“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.