SCHEMBL905844

SCHEMBL905844

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.80
▸ LMNA P02545 2/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ ABCB11 O95342 2/20 0.61
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ PDE3A Q14432 1/20 0.56

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
SCHEMBL5015695 0.94 ACE (0.70) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL905736 0.92 ACE (0.77) ACELMNASMN1; SMN2
SCHEMBL7324222 0.92 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL6417922 0.92 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL6414637 0.91 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
Hydrochloric Acid SCHEMBL7333419 0.91 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL16364868 0.91 ACE (0.85) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL14001337 0.90 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL10802722 0.89 ACE (0.82) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL9863830 0.89 ACE (0.82) ACELMNASMN1; SMN2ABCB11MEN1

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-2456467-B1 EPSILON-POLYLYSINE CONJUGATES AND USE THEREOF MERCK PATENT GMBH (DE) 2018-06-27 — — EP disclosed
US-9078929-B2 ε-Polylysine conjugates and the use thereof MERCK PATENT GMBH (DE) 2015-07-14 — — US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
EP-2456467-A1 -POLYLYSINE CONJUGATES AND USE THEREOF Merck Patent GmbH (DE) 2012-05-30 — — EP disclosed
US-20120122788-A1 E-POLYLYSINE CONJUGATES AND THE USE THEREOF MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-17 — — US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 — — US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 — — US disclosed
WO-2011009539-A1 ε-POLYLYSINE CONJUGATES AND USE THEREOF MERCK PATENT GMBH (DE) 2011-01-27 — — WO disclosed
EP-2277547-A1 Epsilon-polylysine conjugates and their utilisation Merck Patent GmbH (DE) 2011-01-26 — — EP disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 — — 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 (2 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-20120122788-A1 E-POLYLYSINE CONJUGATES AND THE USE THEREOF LNPEP, EEA1, DNPEP ACE 1355/4885LMNA 379/4885SMN1; SMN2 4116/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 ACE 96/4885LMNA 4367/4885SMN1; SMN2 2836/4885

“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.

Send feedback