SCHEMBL18940318

SCHEMBL18940318

CNc1ccc(N)cc1CCCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NMT1 P30419 1/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM1A O60341 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CXCR4 P61073 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL18940324 0.92 SLC6A4 (0.41) SIGMAR1SLC6A4SLC6A2KCNH2CYP2D6
SCHEMBL18940325 0.88 ACHE (0.43) SIGMAR1SLC6A4SLC6A3
SCHEMBL18940344 0.86 NOS3 (0.43) SIGMAR1HTR1DHTR1BNMT1CYP1A2
SCHEMBL18940346 0.86 ACHE (0.42) SIGMAR1SLC6A4SLC6A3
SCHEMBL18940342 0.84 TLR8 (0.37) SIGMAR1TLR8TLR7SLC6A4KDM1A
SCHEMBL18940355 0.84 SIGMAR1 (0.44) SIGMAR1HTR1DHTR1BTLR8TLR7
SCHEMBL18940326 0.82 SIGMAR1 (0.33) SIGMAR1
SCHEMBL18940349 0.82 SIGMAR1 (0.50) SIGMAR1HTR1DHTR1BSLC6A4SLC6A2
SCHEMBL18940323 0.79 ACHE (0.45) SIGMAR1HTR1DHTR1BSLC6A3
SCHEMBL18940341 0.78 NR1H2 (0.45) SIGMAR1HTR1DHTR1BCYP1A2CYP2D6

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
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US claimed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US claimed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 US disclosed
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE HENKEL AG & CO. KGAA (DE) 2017-06-15 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 (2 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-10004674-B2 Substituted p-phenylenediamines as new oxidation dye precursor products of the developer type KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 SIGMAR1 1580/4885HTR1D 1732/4885HTR1B 2191/4885
US-20170165166-A1 SUBSTITUTED P-PHENYLENEDIAMINES AS NEW OXIDATION DYE PRECURSOR PRODUCTS OF THE DEVELOPER TYPE KRT18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 SIGMAR1 1580/4885HTR1D 1732/4885HTR1B 2191/4885

“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.