SCHEMBL3859798

SCHEMBL3859798

CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](O)[C@H](N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.46
ACE P12821 2/20 0.46
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PREP P48147 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
STS P08842 1/20 0.41
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
SCHEMBL3855678 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL2570206 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL3859795 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL11970254 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL2570209 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL3855672 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL11970256 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL3855675 1.00 KLK7 (0.47) KLK7KLK5ACEDPP4DPP8
SCHEMBL4359709 0.97 KLK7 (0.44) KLK7KLK5ACEDPP4DPP8
SCHEMBL4359713 0.97 KLK7 (0.44) KLK7KLK5ACEDPP4DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 KLK7 3332/4885KLK5 2788/4885ACE 59/4885

“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.