SCHEMBL5229686

SCHEMBL5229686

COc1ccc2ccc3c(c2c1)CC(CNC(=O)CC1CC1)CO3

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.78
MTNR1B P49286 8/20 0.43
HTR2C P28335 7/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
DPP4 P27487 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
SCHEMBL5228827 0.88 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL5336888 0.85 MTNR1A (0.56) MTNR1AKMT2AKDM4EALDH1A1HPGD
SCHEMBL5339473 0.85 MTNR1A (0.55) MTNR1AKMT2AKDM4EALDH1A1HPGD
SCHEMBL5342354 0.85 MTNR1A (0.55) MTNR1AKMT2AKDM4EALDH1A1DPP4
SCHEMBL5337964 0.85 MTNR1A (0.55) MTNR1AKMT2AKDM4EALDH1A1HPGD
SCHEMBL5231199 0.84 MTNR1A (0.75) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL5345036 0.78 MTNR1A (0.48) MTNR1AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL5340002 0.76 MTNR1A (0.47) MTNR1AMEN1KMT2A
SCHEMBL19313389 0.75 MTNR1A (0.64) MTNR1ADPP4
SCHEMBL7202817 0.74 MTNR1A (0.66) MTNR1ADPP4

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 4 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

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 2/4885HTR2C 112/4885

“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.