SCHEMBL6043541

SCHEMBL6043541

COC(=O)c1ccccc1OCCN1CCN(C(C)=O)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
GAA P10253 1/20 0.70
DRD3 P35462 4/20 0.57
KDM4E B2RXH2 3/20 0.54
DRD2 P14416 2/20 0.52
DRD1 P21728 1/20 0.52
ALDH1A1 P00352 4/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
HTR1A P08908 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
EPHX2 P34913 2/20 0.48
KCNA5 P22460 1/20 0.47

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
SCHEMBL21750491 0.88 KMT2A (0.75) KMT2AMEN1GAADRD3KDM4E
SCHEMBL6042786 0.87 KDM4E (0.59) KMT2AMEN1GAADRD3KDM4E
SCHEMBL954407 0.87 MEN1 (0.90) KMT2AMEN1GAADRD3KDM4E
SCHEMBL21750480 0.86 MEN1 (0.93) KMT2AMEN1GAADRD3KDM4E
SCHEMBL6044278 0.84 MEN1 (0.72) KMT2AMEN1GAADRD3KDM4E
SCHEMBL21750481 0.82 KMT2A (0.70) KMT2AMEN1GAADRD3KDM4E
SCHEMBL9179977 0.81 KMT2A (0.68) KMT2AMEN1GAADRD3KDM4E
SCHEMBL21750482 0.80 KMT2A (0.66) KMT2AMEN1GAADRD3KDM4E
SCHEMBL21750478 0.78 KDM4E (0.67) KMT2AMEN1GAADRD3KDM4E
SCHEMBL6044788 0.78 KEAP1 (0.64) KMT2AMEN1GAAKDM4EALDH1A1

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 KMT2A 2309/4885MEN1 1992/4885GAA 101/4885

“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.