SCHEMBL6044953

SCHEMBL6044953

[CH2]C(CC)C(=O)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 7/20 0.46
DPP4 P27487 6/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
HPGD P15428 2/20 0.36
EPHX2 P34913 3/20 0.33
GAA P10253 1/20 0.33
LIPE Q05469 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL22699047 0.80 DPP7 (0.49) DPP7DPP4DPP8DPP9FAAH
SCHEMBL12947853 0.78 DPP4 (0.51) DPP7DPP4DPP8DPP9EPHX2
SCHEMBL16435175 0.78 DPP4 (0.51) DPP7DPP4DPP8DPP9EPHX2
SCHEMBL6945729 0.78 DPP7 (0.47) DPP7DPP4DPP8DPP9FAAH
SCHEMBL9019591 0.78 DPP4 (0.42) DPP7DPP4DPP8DPP9FAAH
SCHEMBL28071368 0.73 DPP4 (0.82) DPP7DPP4DPP8DPP9
SCHEMBL28071366 0.73 DPP4 (0.82) DPP7DPP4DPP8DPP9
SCHEMBL1911508 0.73 DPP4 (0.44) DPP7DPP4DPP8DPP9FAAH
Hydrochloric Acid SCHEMBL28071358 0.72 DPP4 (0.79) DPP7DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28071360 0.72 DPP4 (0.79) DPP7DPP4DPP8DPP9

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 DPP7 44/4885DPP4 36/4885DPP8 142/4885

“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.