SCHEMBL6044228

SCHEMBL6044228

CCOC(=O)c1ccccc1CCN1CCN(C(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SIGMAR1 Q99720 2/20 0.47
POLB P06746 3/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.45
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL6042714 0.84 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL6043362 0.83 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1POLBBRD4
SCHEMBL27468402 0.82 SIGMAR1 (0.48) MEN1KMT2ASIGMAR1POLBBRD4
SCHEMBL6043465 0.81 SCN1A (0.49) ALDH1A1TSHRMEN1KMT2ASIGMAR1
SCHEMBL7705187 0.75 GAA (0.59) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL8733285 0.75 TSHR (0.69) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL578128 0.73 TSHR (0.77) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL28280204 0.73 TSHR (0.61) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL23183168 0.72 TSHR (0.65) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL16672495 0.72 TSHR (0.65) ALDH1A1TSHRMEN1KMT2AKDM4E

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 ALDH1A1 1039/4885TSHR 1945/4885MEN1 1992/4885

“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.