SCHEMBL495743

SCHEMBL495743

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)Cn1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
APAF1 O14727 1/20 0.48
AGER Q15109 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
APP P05067 1/20 0.45
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL495741 1.00 KLK5 (0.52) KLK5APAF1AGERCYP1A2CYP3A4
SCHEMBL496267 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496265 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496471 0.82 KLK5 (0.52) KLK5APAF1PSEN1PSEN2APH1B
SCHEMBL496472 0.82 KLK5 (0.52) KLK5APAF1PSEN1PSEN2APH1B
SCHEMBL6853236 0.80 AGER (0.60) KLK5APAF1AGERCYP1A2CYP3A4
SCHEMBL6854543 0.80 APAF1 (0.52) APAF1AGERCYP3A4CYP2D6CYP2C9
SCHEMBL495547 0.80 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6854544 0.80 APAF1 (0.52) APAF1AGERCYP3A4CYP2D6CYP2C9
SCHEMBL495549 0.80 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 KLK5 3927/4885APAF1 4279/4885AGER 1256/4885

“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.