SCHEMBL2532889

SCHEMBL2532889

CN(C)CCCCNc1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
LMNA P02545 2/20 0.43
DRD3 P35462 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
NTSR1 P30989 1/20 0.43
HRH1 P35367 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
SCN7A Q01118 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL5736369 0.95 LMNA (0.43) ACHELMNADRD3CYP1A2MAOA
SCHEMBL3694813 0.88 CYP2A6 (0.44) ACHELMNADRD3CYP1A2MAOA
SCHEMBL5543098 0.81 ABL1 (0.45) ACHELMNADRD3CYP1A2MAOA
SCHEMBL7140128 0.80 BCHE (0.47) ACHEKDM4ERAB9ABCHEALDH1A1
SCHEMBL5853542 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA
SCHEMBL5538917 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA
SCHEMBL11074896 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA
SCHEMBL11274621 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA
SCHEMBL11275854 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA
SCHEMBL11279916 0.79 ABL1 (0.47) ACHELMNADRD3CYP1A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8038732-B2 Fluorescent entity, dyeing composition containing at least one fluorescent entity, and method for lightening keratin materials using said at least one fluorescent entity L'OREAL S.A. (FR) 2011-10-18 US disclosed
US-20100287714-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING AMINO GROUPS AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'ORÉAL (FR) 2010-11-18 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-20100287714-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING AMINO GROUPS AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, DSG1, KRTCAP2 ACHE 3785/4885LMNA 1650/4885DRD3 3078/4885

“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.