SCHEMBL6044009

SCHEMBL6044009

[CH2]CCC(=O)N1CCSCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 1/20 0.40
PHGDH O43175 1/20 0.40
MGLL Q99685 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
DPP7 Q9UHL4 4/20 0.37
DPP4 P27487 5/20 0.36
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP8 Q6V1X1 2/20 0.35

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
SCHEMBL9433090 0.88 ATM (0.48) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL6043598 0.82 FAAH (0.43) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL9415600 0.82 ATM (0.56) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL6945619 0.80 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL6945624 0.80 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL3876392 0.79 ATM (0.65) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL6808481 0.79
SCHEMBL12224197 0.78 L3MBTL1 (0.48) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL3969156 0.77 ATM (0.62) ALDH1A1HPGDHSD17B10ATMKDM4E
SCHEMBL6945731 0.77 ATM (0.50) ALDH1A1HPGDHSD17B10ATMKDM4E

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 8 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-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP 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
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 WO 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 1039/4885HPGD 2228/4885HSD17B10 1219/4885

“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.