SCHEMBL496471

SCHEMBL496471

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)Cn1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.52
▸ APAF1 O14727 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ 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
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CTSS P25774 2/20 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
SCHEMBL496472 1.00 KLK5 (0.52) KLK5APAF1POLBPSEN1PSEN2
SCHEMBL496265 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496267 0.83 KLK5 (0.58) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL496297 0.82 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495743 0.82 KLK5 (0.52) KLK5APAF1POLBPSEN1PSEN2
SCHEMBL496296 0.82 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495741 0.82 KLK5 (0.52) KLK5APAF1POLBPSEN1PSEN2
SCHEMBL27349789 0.81 APAF1 (0.57) APAF1POLBRAB9ASMN1; SMN2MAPT
SCHEMBL495549 0.80 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495547 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 4279/4885POLB 4446/4885

“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.

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