SCHEMBL5226604

SCHEMBL5226604

COc1ccc2c(c1)OCCC2CNC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.61
HTR1A P08908 2/20 0.57
MTNR1B P49286 7/20 0.53
HTR2C P28335 1/20 0.53
KDM4C Q9H3R0 1/20 0.48
NQO2 P16083 3/20 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
SCHEMBL5226600 0.90 MTNR1A (0.65) MTNR1AHTR1AMTNR1BHTR2CNQO2
SCHEMBL5223865 0.88 MTNR1A (0.63) MTNR1AHTR1AMTNR1BHTR2CNQO2
SCHEMBL5263983 0.86 MTNR1A (0.54) MTNR1AHTR1AMTNR1BNQO2
SCHEMBL6077048 0.84 MTNR1A (0.44) MTNR1AMTNR1BKDM4C
SCHEMBL9464927 0.83 HTR1A (0.63) MTNR1AHTR1AKDM4C
SCHEMBL6076282 0.82 MTNR1A (0.43) MTNR1AMTNR1BKDM4C
Formamide SCHEMBL9729628 0.82 HTR1A (0.59) MTNR1AHTR1AMTNR1BKDM4CNQO2
SCHEMBL5227860 0.81 MTNR1A (0.69) MTNR1AMTNR1BHTR2C
SCHEMBL9464770 0.81 HTR1A (0.67) MTNR1AHTR1AKDM4C
Benzene SCHEMBL9667571 0.80 HTR1A (0.65) HTR1AKDM4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
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 1/4885HTR1A 122/4885MTNR1B 2/4885

“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.