SCHEMBL2270874

SCHEMBL2270874

CC(C)(C)OC(=O)[C@@](N)(CCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.42
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.34
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
GGT1 P19440 1/20 0.32
KMT2A Q03164 2/20 0.30
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
HDAC3 O15379 1/20 0.30
GABBR2 O75899 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL9016090 1.00 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL2270879 1.00 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL4617700 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL4617707 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL28914719 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL3294151 0.91 DGAT1 (0.38) ODC1LMNABLMKDM4EMAPT
SCHEMBL1066048 0.89 DGAT1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL7705520 0.89 DGAT1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL6429484 0.86 TDP1 (0.42) DGAT1ARG1ARG2GGT1KMT2A
SCHEMBL345584 0.86 FDPS (0.36) DGAT1ARG1ARG2GGT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598123-B2 Peptide analogues PFIZER INC. (US) 2013-12-03 US disclosed
US-20120329724-A1 PEPTIDE ANALOGUES PFIZER LIMITED 2012-12-27 US disclosed
US-20110207654-A1 PEPTIDE ANALOGUES PFIZER INC. 2011-08-25 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 (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-20120329724-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 ODC1 2286/4885LMNA 4556/4885BLM 4806/4885
US-20110207654-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 ODC1 2286/4885LMNA 4556/4885BLM 4806/4885

“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.