SCHEMBL496172

SCHEMBL496172

N[C@H](Cc1ccccc1)[C@@H](O)CNCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
ANPEP P15144 1/20 0.53
BACE1 P56817 2/20 0.51
SLC6A11 P48066 1/20 0.51
CSNK1E P49674 1/20 0.50
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
F2 P00734 1/20 0.49
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
DNM1 Q05193 1/20 0.44
MMP2 P08253 1/20 0.44
LMNA P02545 1/20 0.44
SLC15A1 P46059 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7951036 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL2605624 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL3353939 1.00 BCHE (0.61) BCHEANPEPBACE1SLC6A11CSNK1E
Hydrochloric Acid SCHEMBL497150 0.98 BCHE (0.60) BCHEANPEPBACE1SLC6A11CSNK1E
Hydrochloric Acid SCHEMBL5225060 0.98 BCHE (0.60) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL7300383 0.91 CSNK1E (0.54) BCHEANPEPCSNK1EF2EPHX1
SCHEMBL3382581 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11CSNK1E
SCHEMBL6894816 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11OPRD1
SCHEMBL3351836 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11OPRD1
SCHEMBL6887793 0.91 BCHE (0.53) BCHEANPEPBACE1SLC6A11CSNK1E

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 9 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
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-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US 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
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 BCHE 388/4885ANPEP 355/4885BACE1 853/4885

“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.