SCHEMBL19953940

SCHEMBL19953940

CC(C)CNC(=O)CCN

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP2 P08253 1/20 0.47
TLR2 O60603 2/20 0.44
EPHX2 P34913 4/20 0.44
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
MAPT P10636 1/20 0.43
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40

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
Hydrochloric Acid SCHEMBL29169433 0.98 HPGD (0.50) HPGDCYP2D6CYP2C19MMP2TLR2
SCHEMBL16724729 0.92 HPGD (0.46) HPGDCYP2D6CYP2C19MMP2TLR2
SCHEMBL17739923 0.85 HPGD (0.51) HPGDCYP2D6CYP2C19MMP2EPHX2
SCHEMBL787860 0.81
SCHEMBL743998 0.80 CYP2D6 (0.48) HPGDCYP2D6CYP2C19EPHX2MMP1
SCHEMBL9349283 0.79 CYP2D6 (0.52) HPGDCYP2D6CYP2C19MMP2EPHX2
SCHEMBL2604889 0.79 CYP2D6 (0.52) HPGDCYP2D6CYP2C19EPHX2MMP1
SCHEMBL2623081 0.79 CYP2D6 (0.52) HPGDCYP2D6CYP2C19EPHX2MMP1
Hydrochloric Acid SCHEMBL8668271 0.79 CYP2C19 (0.52) HPGDCYP2D6CYP2C19MMP2EPHX2
SCHEMBL445146 0.78 LMNA (0.54) HPGDCYP2C19HSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 US disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 US disclosed
WO-2019052545-A1 CYCLIC PEPTIDE ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-21 WO disclosed
US-9914798-B2 Supramolecular elastomer networks containing grafted oligoamide hard components THE UNIVERSITY OF AKRON 2018-03-13 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP HPGD 3877/4885CYP2D6 4358/4885CYP2C19 4280/4885
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP HPGD 3877/4885CYP2D6 4358/4885CYP2C19 4280/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP HPGD 3877/4885CYP2D6 4358/4885CYP2C19 4280/4885

“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.