SCHEMBL2417037

SCHEMBL2417037

CC(=O)NCCN(C)c1nc(N2CCC(O)C2NC=O)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
KCNH2 Q12809 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL2418206 0.88 HSD11B1 (0.30) HSD11B1
SCHEMBL2410148 0.88 HSD11B1 (0.30) HSD11B1
SCHEMBL2414605 0.85 MTNR1A (0.35) MTNR1AMTNR1BKCNH2CHIT1CHIA
SCHEMBL2414614 0.84 HSD11B1 (0.35) MTNR1AMTNR1BKCNH2CHIT1CHIA
SCHEMBL2415324 0.83
SCHEMBL2410419 0.83 MTNR1A (0.34) MTNR1AMTNR1BHSD11B1
SCHEMBL2414240 0.82 ILK (0.33)
SCHEMBL2411924 0.78 MTNR1A (0.39) MTNR1AMTNR1BKCNH2CHIT1CHIA
SCHEMBL2414842 0.77 ADORA2A (0.42) MTNR1AMTNR1BKCNH2CHIT1CHIA
SCHEMBL2414983 0.77 MTNR1A (0.35) MTNR1AMTNR1BKCNH2CHIT1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US claimed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US claimed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP claimed
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US disclosed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US disclosed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP 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-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres KRT18, DPYD, DSP MTNR1A 4488/4885MTNR1B 4197/4885KCNH2 320/4885

“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.