SCHEMBL842695

SCHEMBL842695

CON(C)C(=O)[C@H](CC1CCC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 1/20 0.39
GHSR Q92847 1/20 0.38
EPOR P19235 1/20 0.38
NPY5R Q15761 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
SLC18A3 Q16572 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL842696 1.00 ATM (0.46) ATML3MBTL1KMT2ACTSLCTSB
SCHEMBL840766 0.82 ATM (0.48) ATMKMT2AMAPK1HPGDMEN1
SCHEMBL841071 0.82 ATM (0.48) ATMKMT2AMAPK1HPGDMEN1
SCHEMBL842052 0.81 EPOR (0.41) L3MBTL1KMT2AACHEEPORHPGD
SCHEMBL842051 0.81 EPOR (0.41) L3MBTL1KMT2AACHEEPORHPGD
SCHEMBL841890 0.80 HPGD (0.43) L3MBTL1KMT2AACHEEPORMAPK1
SCHEMBL9329177 0.80 HPGD (0.50) ACHEEPORMAPK1HPGDALDH1A1
SCHEMBL841889 0.80 HPGD (0.43) L3MBTL1KMT2AACHEEPORMAPK1
SCHEMBL9076431 0.80 ATM (0.51) ATML3MBTL1KMT2ACTSLCTSB
SCHEMBL9076426 0.80 ATM (0.51) ATML3MBTL1KMT2ACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US disclosed
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US disclosed
US-8143448-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2012-03-27 US disclosed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 WO disclosed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US disclosed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US disclosed
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 US disclosed
WO-2009152474-A2 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-12-17 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-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 ATM 3364/4885L3MBTL1 4805/4885KMT2A 2389/4885

“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.