SCHEMBL5227854

SCHEMBL5227854

COc1ccc2c(c1)CC(CN)CO2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.63
TP53 P04637 4/20 0.47
LMNA P02545 3/20 0.46
ALOX5 P09917 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL17888019 0.87 MTNR1A (0.64) MTNR1ATP53LMNAALOX5HRH3
SCHEMBL5228137 0.85 MTNR1A (0.67) MTNR1ATP53LMNAALOX5POLB
SCHEMBL5227651 0.82 MTNR1A (0.59) MTNR1ATP53LMNAALOX5HRH3
SCHEMBL9082928 0.80 MTNR1A (0.57) MTNR1ATP53LMNAHRH3POLB
Hydrochloric Acid SCHEMBL10780018 0.79 MTNR1A (0.56) MTNR1ATP53LMNAHRH3POLB
SCHEMBL16303447 0.78 MTNR1A (0.58) MTNR1ATP53LMNAHRH3POLB
SCHEMBL9630509 0.78 CYP19A1 (0.59)
SCHEMBL5261920 0.78 MTNR1A (1.00) MTNR1ATP53LMNAPOLB
SCHEMBL16303414 0.77 MTNR1A (0.57) MTNR1ATP53LMNAHRH3POLB
SCHEMBL16225128 0.77 HRH4 (0.40) MTNR1AALOX5HRH3POLBMAPT

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 1/4885TP53 4723/4885LMNA 3117/4885

“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.