SCHEMBL841890

SCHEMBL841890

CCC(C(=O)N(C)OC)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPOR P19235 1/20 0.40
RIPK1 Q13546 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL841889 1.00 HPGD (0.43) HPGDNPC1RAB9ACA12CA9
SCHEMBL842052 0.89 EPOR (0.41) HPGDNPC1RAB9ACA12CA9
SCHEMBL842051 0.89 EPOR (0.41) HPGDNPC1RAB9ACA12CA9
SCHEMBL9329177 0.88 HPGD (0.50) HPGDNPC1RAB9ACA12CA9
SCHEMBL841619 0.86 EPOR (0.45) HPGDNPC1RAB9ACA12CA9
SCHEMBL841620 0.86 EPOR (0.45) HPGDNPC1RAB9ACA12CA9
SCHEMBL14019315 0.83 EPOR (0.45) HPGDNPC1RAB9ACA12CA9
SCHEMBL14044907 0.82 EPOR (0.42) HPGDALDH1A1L3MBTL1EPORACHE
SCHEMBL24332207 0.82 HPGD (0.49) HPGDNPC1RAB9ACA12CA9
SCHEMBL1370385 0.82 HPGD (0.49) HPGDNPC1RAB9ACA12CA9

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 11 patents. 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
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-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
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-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

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 HPGD 1661/4885NPC1 250/4885RAB9A 734/4885
US-20130137687-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, PRMT7, PRLHR HPGD 953/4885NPC1 1501/4885RAB9A 990/4885
US-20090312571-A1 PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES HCN3, NPEPPS, HACL2 HPGD 933/4885NPC1 2684/4885RAB9A 1767/4885

“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.