SCHEMBL842374

SCHEMBL842374

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RIPK1 Q13546 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.42

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
SCHEMBL841079 1.00 LMNA (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL28162835 0.93 LMNA (0.50) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL4926088 0.89 LMNA (0.42) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL7512255 0.88 ACHE (0.55) KMT2AMEN1
SCHEMBL5434386 0.88 HSD17B1 (0.46) KMT2AMEN1
SCHEMBL9328928 0.87 KMT2A (0.49) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL841385 0.86 LMNA (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL840672 0.86 LMNA (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL28777927 0.85 LMNA (0.46) LMNAALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL25190234 0.84 LMNA (0.43) LMNAALDH1A1POLBHSD17B10L3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782903-B1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2782903-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F.HOFFMANN-LA ROCHE AG (CH) 2014-10-01 EP disclosed
CN-103946213-A Novel pyrrolidine derivatives as inhibitors of cathepsin HOFFMANN LA ROCHE 2014-07-23 CN disclosed
US-8729061-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 US disclosed
WO-2013076063-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN F. HOFFMANN-LA ROCHE AG (CH) 2013-05-30 WO disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 US disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 US disclosed
US-8431733-B2 Process for the preparation of (3S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide derivatives VIROBAY, INC. (US) 2013-04-30 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
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
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
WO-2009114633-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 WO disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 US disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 US disclosed
US-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES VIROBAY, INC. (US) 2009-09-17 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 (3 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-20090234127-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES CTSS, CTSV, CTSE LMNA 2158/4885ALDH1A1 802/4885POLB 1664/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR LMNA 4095/4885ALDH1A1 442/4885POLB 1782/4885
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 LMNA 1948/4885ALDH1A1 799/4885POLB 1745/4885

“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.