SCHEMBL6043936

SCHEMBL6043936

CCOC(=O)c1cccnc1OCCCOC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL6472886 0.93 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL29173176 0.88 L3MBTL1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7239484 0.87 L3MBTL1 (0.62) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL1313733 0.86 L3MBTL1 (0.74) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL311599 0.85 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6043383 0.82 KDM4E (0.49) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL27466011 0.81 RAB9A (0.51) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6583837 0.81 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6042513 0.79 TSHR (0.59) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL27424667 0.79 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT

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 L3MBTL1 637/4885ALDH1A1 1039/4885SMN1; SMN2 1043/4885

“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.