SCHEMBL6043388

SCHEMBL6043388

[CH2]CCCN1CCC(OC)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL26981434 0.89 LTA4H (0.35) LTA4HGRIN1GRIN2B
SCHEMBL6044069 0.89 LTA4H (0.35) LTA4HGRIN1GRIN2B
SCHEMBL12912029 0.83 GNAI3 (0.42) GNAI3GNAO1GNAI1
SCHEMBL14749169 0.83 GNAI3 (0.42) GNAI3GNAO1GNAI1
SCHEMBL14749186 0.83 GNAI3 (0.42) GNAI3GNAO1GNAI1
SCHEMBL24443851 0.81 ESR1 (0.38) GRIN1GRIN2B
SCHEMBL18159722 0.81 GRIN1 (0.33) LTA4HGRIN1GRIN2BCHRM2CHRM3
SCHEMBL16169591 0.81 MEN1 (0.34) LTA4HGRIN1GRIN2B
SCHEMBL12911942 0.81 GNAO1 (0.49) GNAI3GNAO1GNAI1
SCHEMBL19616664 0.81 GRIN1 (0.33) LTA4HGRIN1GRIN2BCHRM2CHRM3

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 LTA4H 900/4885GRIN1 673/4885GRIN2B 699/4885

“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.