SCHEMBL7201059

SCHEMBL7201059

CC(=O)NCC1COc2cc3c(cc2C1)OCCO3

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.62
MTNR1B P49286 7/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL5344278 0.80 MTNR1A (0.72) MTNR1AMTNR1BTRPV1
SCHEMBL5346519 0.79 MTNR1A (0.70) MTNR1AMTNR1BTRPV1MAPT
SCHEMBL5334595 0.79 MTNR1A (0.70) MTNR1AMTNR1BTRPV1
SCHEMBL5346165 0.79 MTNR1A (0.70) MTNR1AMTNR1BTRPV1
SCHEMBL6076652 0.79 MTNR1A (0.70) MTNR1AMTNR1BTRPV1
SCHEMBL19658437 0.78 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL5261920 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7198777 0.76 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP2C19NPSR1
SCHEMBL7822666 0.74 MTNR1A (0.77) MTNR1AMTNR1BTRPV1
SCHEMBL5336254 0.74 MTNR1A (0.70) MTNR1AMTNR1BCYP1A2TRPV1

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
CN-1139584-C Heterocyclic compounds, method for preparing and medicine compositions containing same ɪά��ʵ���� 2004-02-25 CN 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 2/4885CYP1A2 137/4885

“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.