SCHEMBL3432264

SCHEMBL3432264

COc1cccc(NC(C)NC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 12/20 0.56
▸ MTNR1A P48039 11/20 0.56
▸ THRB P10828 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ ACACB O00763 1/20 0.50

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
SCHEMBL26616883 0.78 MTNR1B (0.57) MTNR1BMTNR1ATHRBTSHRALDH1A1
SCHEMBL23771228 0.78 THRB (0.58) MTNR1BMTNR1ATHRBTSHRALDH1A1
SCHEMBL6274304 0.78 MTNR1B (0.57) MTNR1BMTNR1ATHRBTSHRALDH1A1
SCHEMBL171425 0.77 MTNR1A (0.79) MTNR1BMTNR1ATSHRALDH1A1TP53
SCHEMBL29875454 0.77 MTNR1A (0.79) MTNR1BMTNR1ATSHRALDH1A1TP53
SCHEMBL29564854 0.77 SYK (0.59) MTNR1BMTNR1ATHRBTSHRALDH1A1
SCHEMBL11843110 0.77 HSD17B10 (0.52) MTNR1BMTNR1ATHRBTSHRALDH1A1
SCHEMBL631776 0.77 KCNH3 (0.64) MTNR1BMTNR1ATHRBTSHRALDH1A1
Hydrochloric Acid SCHEMBL29564676 0.76 SYK (0.58) MTNR1BTHRBTSHRALDH1A1TP53
SCHEMBL11202583 0.76 THRB (0.59) MTNR1BMTNR1ATHRBTSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MTNR1B 5/4885MTNR1A 3/4885THRB 536/4885

“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.

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