SCHEMBL5969167

SCHEMBL5969167

CC(C)(C)OC(=O)NCCC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
IDO1 P14902 1/20 0.42
DRD2 P14416 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NAMPT P43490 1/20 0.40
CHRM4 P08173 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
SCHEMBL5633885 0.91 CHRM4 (0.46) DRD2SIGMAR1ACHEBCHEGPR88
SCHEMBL3024605 0.88 NAMPT (0.50) MEN1KMT2ACTSSCTSKDRD2
SCHEMBL22151315 0.85 SLC6A9 (0.44) MEN1KMT2AGAACTSSCTSK
SCHEMBL5074958 0.82 KMT2A (0.44) MEN1KMT2ADRD2CNR1CNR2
SCHEMBL8298777 0.81 CKS1B (0.51) DRD2NAMPT
SCHEMBL5744529 0.80 RIPK1 (0.43) MEN1KMT2AGAACTSSCTSK
SCHEMBL23745899 0.80 TLR2 (0.53) SIGMAR1CNR2NAMPT
SCHEMBL2793927 0.79 KMT2A (0.49) MEN1KMT2A
SCHEMBL17726230 0.79 KMT2A (0.45) MEN1KMT2AGAA
SCHEMBL1094296 0.78 KMT2A (0.44) MEN1KMT2AGAAACHECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984627-B1 Peptide derivatives ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-20050222395-A1 New peptide derivatives ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-0701568-B1 NEW PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-25 EP disclosed
EP-1067136-A1 New peptide derivatives AstraZeneca AB (SE) 2001-01-10 EP disclosed
CN-1278530-A Novel peptide derivative ASTRA AB (SE) 2001-01-03 CN disclosed
US-5939392-A THROMBIN INHIBITORS, ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-08-17 US disclosed
US-5856307-A Peptide derivatives as kininogenase inhibitors ASTRA AKTIEBOLAG (SE) 1999-01-05 US disclosed
US-5783563-A Method for treatment or prophylaxis of venous thrombosis ASTRA AKTIEBOLAG 1998-07-21 US disclosed
US-5780631-A ANTICOAGLUANT ASTRA AKTIEBOLAG (SE) 1998-07-14 US disclosed
US-5723444-A ENZYME INHIBITORS AND ANTICOAGULANTS ASTRA AB (SE) 1998-03-03 US disclosed
US-5602253-A STARTING MATERIAL FOR SERINE PROTEASE INHIBITORS AKTIEBOLAGET ASTRA (SE) 1997-02-11 US disclosed
EP-0701568-A1 NEW PEPTIDE DERIVATIVES Astra Aktiebolag (SE) 1996-03-20 EP disclosed
WO-1994029336-A1 NEW PEPTIDE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1994-12-22 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 (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-20050222395-A1 New peptide derivatives SERPINE1, SERPINC1, SPINT2 MEN1 1137/4885KMT2A 4410/4885GAA 1362/4885

“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.