SCHEMBL2413631

SCHEMBL2413631

CC(=O)NC1CCN(c2ccc(N)c(N3CCCC3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OGFRL1 Q5TC84 2/20 0.43
SMPD3 Q9NY59 1/20 0.43
EIF2AK4 Q9P2K8 1/20 0.43
BTK Q06187 2/20 0.43
KCNH2 Q12809 2/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
MAP4K4 O95819 4/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
MCHR1 Q99705 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL2412747 0.89 AKT1 (0.46) AKT1MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL2415078 0.85 SMPD3 (0.46) AKT1HRH4MTNR1AMTNR1BOPRM1
SCHEMBL2413257 0.84 AKT1 (0.40) AKT1MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL2416365 0.83 PDE10A (0.42) AKT1MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL2416387 0.82 MTNR1A (0.44) AKT1HRH4MTNR1AMTNR1BSMPD3
SCHEMBL2416308 0.82 AKT1 (0.39) AKT1MTNR1AMTNR1BOPRM1OPRD1
SCHEMBL2412636 0.81 SUV39H2 (0.49) AKT1SMPD3BTKSUV39H2MCHR1
SCHEMBL2412753 0.81 SMPD3 (0.43) AKT1HRH4MTNR1AMTNR1BOPRM1
SCHEMBL2413821 0.80 MCHR1 (0.43) AKT1HRH4MTNR1AMTNR1BOPRM1
SCHEMBL2270852 0.79 SMPD3 (0.48) AKT1MTNR1AMTNR1BOPRM1OPRD1

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 AKT1 4833/4885HRH4 2255/4885MTNR1A 4488/4885

“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.