SCHEMBL15908148

SCHEMBL15908148

CC(C)(C(=O)OCc1ccccc1)N1CCN(C(C)(C)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTR2C P28335 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL20792927 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL31575357 0.94 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL22059743 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL26419124 0.90 MEN1 (0.59) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL26327468 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL15105924 0.87 CHRM3 (0.46) ALDH1A1KMT2AMEN1NPSR1
SCHEMBL23277976 0.86 SIGMAR1 (0.46) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL22618156 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL5827412 0.85 L3MBTL1 (0.55) ALDH1A1KMT2AMEN1NPSR1L3MBTL1
SCHEMBL20054721 0.81 HTR2C (0.45) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2

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-9133194-B2 Cyclic tripeptide mimetics as plasmin inhibitors STEINMETZER TORSTEN (DE) 2015-09-15 US disclosed
US-9133194-B2 Cyclic tripeptide mimetics as plasmin inhibitors STEINMETZER TORSTEN (DE) 2015-09-15 US disclosed
EP-2729484-B1 CYCLIC TRIPEPTIDE MIMETICS AS PLASMIN INHIBITORS PHILIPPS UNIVERSITÄT MARBURG (DE) 2015-07-29 EP disclosed
US-20140213781-A1 CYCLIC TRIPEPTIDE MIMETICS AS PLASMIN INHIBITORS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2014-07-31 US disclosed
US-20140213781-A1 CYCLIC TRIPEPTIDE MIMETICS AS PLASMIN INHIBITORS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2014-07-31 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 (1 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-20140213781-A1 CYCLIC TRIPEPTIDE MIMETICS AS PLASMIN INHIBITORS F2, FGB, SERPINC1 ALDH1A1 4699/4885KMT2A 4137/4885MEN1 679/4885

“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.