SCHEMBL7198660

SCHEMBL7198660

CCCC(=O)NCCC1CCOc2cc(OC)ccc21

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.66
MTNR1B P49286 11/20 0.66
NQO2 P16083 8/20 0.66
HTR1A P08908 1/20 0.49

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
SCHEMBL7198659 0.92 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL5263983 0.89 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5223865 0.87 MTNR1A (0.63) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5225818 0.85 MTNR1A (0.49) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5227718 0.85 HTR1A (0.59) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5225086 0.85 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL8888092 0.81 MTNR1A (0.83) MTNR1AMTNR1BNQO2
SCHEMBL135119 0.81 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL5263981 0.81 MTNR1A (0.57) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL8887067 0.80 MTNR1A (0.73) MTNR1AMTNR1BNQO2

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 3 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

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.