SCHEMBL3397409

SCHEMBL3397409

CC(=O)NCCNCc1cccc(OCCCCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.65
MTNR1B P49286 9/20 0.65
BCHE P06276 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
ACACB O00763 1/20 0.52
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL5105167 0.87 S1PR1 (0.60) MTNR1AMTNR1BBCHEKDM4EL3MBTL1
SCHEMBL3396113 0.87 CYP2D6 (0.56) MTNR1AMTNR1BKDM4EMAPK1
SCHEMBL3398988 0.87 CYP2D6 (0.55) MTNR1AMTNR1BKDM4EMAPK1L3MBTL1
SCHEMBL5105375 0.85 BCHE (0.65) BCHEL3MBTL1
SCHEMBL5092357 0.81 S1PR1 (0.62) MTNR1AMTNR1BBCHEKDM4EL3MBTL1
SCHEMBL3400228 0.80 MTNR1A (0.68) MTNR1AMTNR1BKDM4E
SCHEMBL14197926 0.79 BCHE (0.67) BCHEKDM4EMAPK1
SCHEMBL30821653 0.79 BCHE (0.67) BCHEKDM4EMAPK1
SCHEMBL21634272 0.79 BCHE (0.67) BCHEKDM4EMAPK1
SCHEMBL3397413 0.79 MTNR1A (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885BCHE 1695/4885

“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.