SCHEMBL2414712

SCHEMBL2414712

CC(=O)NCCN(C)c1nc(N2CCC(O)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 3/20 0.41
HSD11B1 P28845 2/20 0.39
PDE10A Q9Y233 2/20 0.39
KCNH2 Q12809 1/20 0.38
CHIT1 Q13231 1/20 0.38
CHIA Q9BZP6 1/20 0.38
MAP4K4 O95819 1/20 0.37
SMPD3 Q9NY59 5/20 0.37
MELK Q14680 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
P2RX7 Q99572 1/20 0.35
PRKDC P78527 1/20 0.35
IKBKB O14920 2/20 0.35

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
SCHEMBL2415467 0.90 HRH4 (0.39) HSD11B1KCNH2CHIT1CHIAMAP4K4
SCHEMBL2414166 0.88 HSD11B1 (0.42) HSD11B1KCNH2CHIT1CHIAMAP4K4
SCHEMBL2411924 0.87 MTNR1A (0.39) HSD11B1PDE10AKCNH2CHIT1CHIA
SCHEMBL2413496 0.85 ALDH1A1 (0.41) NAPEPLDHSD11B1KCNH2CHIT1CHIA
SCHEMBL2415213 0.84 SMPD3 (0.41) NAPEPLDHSD11B1PDE10AMAP4K4SMPD3
SCHEMBL2415295 0.84 SMPD3 (0.41) NAPEPLDHSD11B1PDE10AMAP4K4SMPD3
SCHEMBL2414980 0.80 HRH4 (0.40) NAPEPLDHSD11B1KCNH2CHIT1CHIA
SCHEMBL2414605 0.80 MTNR1A (0.35) HSD11B1KCNH2CHIT1CHIAMTNR1A
SCHEMBL2414983 0.80 MTNR1A (0.35) HSD11B1KCNH2CHIT1CHIAMAP4K4
SCHEMBL2414686 0.79 MTNR1A (0.35) HSD11B1MTNR1AMTNR1B

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 12 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
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN 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
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN 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
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN 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
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN 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 NAPEPLD 2460/4885HSD11B1 3872/4885PDE10A 3263/4885

“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.