SCHEMBL6043381

SCHEMBL6043381

CC1COCCN1CCCO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH3 Q9Y5N1 7/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDK1 Q15118 3/20 0.34
GRM2 Q14416 3/20 0.31
WNT1 P04628 2/20 0.31
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31

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
SCHEMBL26004017 1.00 CA12 (0.40) CA12CA1CA2CA9HRH3
SCHEMBL25996988 1.00 CA12 (0.40) CA12CA1CA2CA9HRH3
SCHEMBL9801613 0.89 CA12 (0.42) CA12CA1CA2CA9HRH3
SCHEMBL1564866 0.89 CA12 (0.42) CA12CA1CA2CA9HRH3
SCHEMBL18256921 0.89 CA12 (0.42) CA12CA1CA2CA9HRH3
SCHEMBL21375222 0.83 HRH3 (0.37) CA12CA1CA2CA9HRH3
SCHEMBL22282207 0.83 HRH3 (0.37) CA12CA1CA2CA9HRH3
SCHEMBL11929530 0.83 HRH3 (0.37) CA12CA1CA2CA9HRH3
SCHEMBL9801672 0.81 KEAP1 (0.47) CA12CA1CA2CA9HRH3
SCHEMBL3953600 0.81 SLC6A4 (0.37) CA12CA1CA2CA9HRH3

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 5 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
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 CA12 511/4885CA1 32/4885CA2 251/4885

“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.