SCHEMBL6042786

SCHEMBL6042786

CC(=O)N1CCN(CCOc2ccccc2C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
DRD3 P35462 4/20 0.57
DRD2 P14416 2/20 0.57
DRD1 P21728 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 5/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 1/20 0.54
PTK2B Q14289 1/20 0.52
ABCB1 P08183 1/20 0.52
KCNA5 P22460 2/20 0.51
HRH2 P25021 1/20 0.50
HTR1A P08908 1/20 0.50

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
SCHEMBL6043541 0.87 KMT2A (0.70) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL11365759 0.83 DRD2 (0.75) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL8401002 0.83 DRD2 (0.75) KDM4EDRD3DRD2DRD1KMT2A
Hydrochloric Acid SCHEMBL8665681 0.82 DRD2 (0.73) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL21750486 0.82 KDM4E (0.70) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL6042440 0.81 POLB (0.68) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL9180952 0.80 TDP1 (0.67) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL6043362 0.77 SIGMAR1 (0.49) DRD3KMT2AMEN1GAAPOLB
SCHEMBL11336084 0.77 MAPT (0.76) KDM4EDRD3DRD2DRD1KMT2A
SCHEMBL1286685 0.77 MAPT (0.81) KDM4EDRD3DRD2DRD1KMT2A

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 KDM4E 1951/4885DRD3 1566/4885DRD2 1382/4885

“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.