SCHEMBL3397413

SCHEMBL3397413

CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 1.00
MTNR1B P49286 20/20 1.00

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
SCHEMBL3396116 0.85 MTNR1A (0.91) MTNR1AMTNR1B
SCHEMBL3398990 0.85 MTNR1A (0.88) MTNR1AMTNR1B
SCHEMBL3397409 0.79 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL3399168 0.79 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL4981370 0.76 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL3979441 0.75 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL13135448 0.75 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL17066872 0.75 MTNR1B (0.74) MTNR1AMTNR1B
SCHEMBL30080231 0.74 MTNR1B (0.81) MTNR1AMTNR1B
SCHEMBL3397751 0.74 MTNR1B (1.00) MTNR1AMTNR1B

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
EP-1973868-B1 Novel elatonin ligands having antidepressant activity as well as sleep inducing properties UNIV MCGILL (CA) 2015-09-09 EP disclosed
US-8791163-B2 Melatonin ligands having antidepressant activity as well as sleep inducing properties MCGILL UNIVERSITY (CA) 2014-07-29 US disclosed
US-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES UNIVERSITA DEGLI STUDI DI MILANO (IT) 2010-10-21 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-20100267836-A1 NOVEL MELATONIN LIGANDS HAVING ANTIDEPRESSANT ACTIVITY AS WELL AS SLEEP INDUCING PROPERTIES HCRTR1, HCRTR2, MTNR1A MTNR1A 3/4885MTNR1B 5/4885

“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.