SCHEMBL4359713

SCHEMBL4359713

CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
ACE P12821 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
FAP Q12884 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FKBP1A P62942 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
PRMT5 O14744 1/20 0.40
STS P08842 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4359709 1.00 KLK7 (0.44) KLK7KLK5ACEALDH1A1HSD17B10
SCHEMBL3855672 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL3859795 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL2570206 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL3855675 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL2570209 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL3855678 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL3859798 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL11970256 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4
SCHEMBL11970254 0.97 KLK7 (0.47) KLK7KLK5ACEALDH1A1DPP4

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-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP KLK7 1059/4885KLK5 683/4885ACE 6/4885

“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.