SCHEMBL6042659

SCHEMBL6042659

[CH2]CC(=O)N1CCNCC1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MMP3 P08254 2/20 0.33
MMP1 P03956 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
MMP7 P09237 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
FKBP1A P62942 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
PEPD P12955 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 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
SCHEMBL5073006 0.81 CHRNB2 (0.37) ITGB2ICAM1ITGALCHRNB2CHRNA4
SCHEMBL26427037 0.81 MMP2 (0.46) ITGB2ICAM1ITGALCHRNB2CHRNA4
SCHEMBL6198122 0.81 TSHR (0.40) ITGB2ICAM1ITGALCHRNB2CHRNA4
SCHEMBL15432009 0.81 MMP2 (0.46) ITGB2ICAM1ITGALCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29024753 0.80 MMP2 (0.45) ITGB2ICAM1ITGALCHRNB2CHRNA4
SCHEMBL6350612 0.75 PARP1 (0.42) ITGB2ICAM1ITGALFKBP1ALMNA
SCHEMBL1634791 0.75 PARP1 (0.42) ITGB2ICAM1ITGALFKBP1ALMNA
SCHEMBL22255063 0.75 DPP4 (0.37) ITGB2ICAM1ITGALCHRNB2CHRNA4
SCHEMBL654591 0.75 PARP1 (0.42) ITGB2ICAM1ITGALFKBP1ALMNA
SCHEMBL1546602 0.74 CHRNB2 (0.39) CHRNB2CHRNA4MMP3MMP1MMP9

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 3 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

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 ITGB2 4807/4885ICAM1 3739/4885ITGAL 4159/4885

“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.