SCHEMBL3989340

SCHEMBL3989340

CN(C)CCOCCOCCNc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.43
LMNA P02545 2/20 0.42
SCN5A Q14524 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
DRD4 P21917 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
SCN7A Q01118 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 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
SCHEMBL6654257 0.86 APP (0.46) SCN5ACYP1A2MAOARAB9AAPP
SCHEMBL18394327 0.81 ABCB11 (0.47) SCN5AKDM4EAPPMAPTGAA
SCHEMBL6318640 0.81 HRH3 (0.46) PHLPP2LMNASCN5ACYP1A2MAOA
SCHEMBL4854821 0.78 KCNH3 (0.49) SCN5AMAPK1KDM4ERAB9AAPP
SCHEMBL147856 0.78 APP (0.42) LMNACYP1A2MAOAKDM4ERAB9A
SCHEMBL3856688 0.78 DRD3 (0.44) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL15585738 0.77 PTGER4 (0.42) PHLPP2MAPK1KDM4EUSP2MAPT
SCHEMBL11792842 0.77 CYP3A4 (0.43) LMNASCN5ACYP1A2MAOACNR1
SCHEMBL4848681 0.76 KCNH3 (0.50) MAPK1KDM4ERAB9AAPPMAPT
SCHEMBL6650216 0.75 APP (0.43) SCN5AMAOAAPPMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP claimed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US claimed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 US claimed
EP-1568683-A2 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof L'OREAL (FR) 2005-08-31 EP claimed
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 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-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, PRKDC PHLPP2 1980/4885LMNA 176/4885SCN5A 207/4885

“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.