SCHEMBL6042750

SCHEMBL6042750

CCOCCCN1CCN([C]=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH1 P35367 8/20 0.35
HRH2 P25021 6/20 0.35
HRH3 Q9Y5N1 2/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 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
SCHEMBL11569854 0.84
SCHEMBL29322718 0.84 MAPK1 (0.40) CYP2D6CYP2C19KDM4ETDP1HRH3
SCHEMBL10961176 0.82 CYP2D6 (0.41) CYP2D6CYP2C19KDM4ETDP1HRH1
SCHEMBL6043531 0.81 KDM4E (0.35) CYP2D6CYP2C19KDM4ETDP1HRH3
SCHEMBL10245400 0.79 HRH3 (0.44) KDM4EHRH3SIGMAR1RAB9A
SCHEMBL4630069 0.79 GNAI3 (0.44) KDM4ESIGMAR1
SCHEMBL4901787 0.77 GNAI3 (0.52) KDM4ESIGMAR1
SCHEMBL10926779 0.77 HRH1 (0.41) CYP2D6CYP2C19KDM4ETDP1HRH1
SCHEMBL24792370 0.77 HRH3 (0.43) CYP2D6CYP2C19HRH1HRH3SIGMAR1
SCHEMBL1161076 0.77 HRH3 (0.48) CYP2D6CYP2C19KDM4EHRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 CYP2D6 1540/4885CYP2C19 2068/4885KDM4E 1951/4885

“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.