SCHEMBL5968906

SCHEMBL5968906

CC(C)(C)OC(=O)NCc1cccc(C(c2ccccc2)N2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ BRD4 O60885 3/20 0.43
▸ GLS O94925 2/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ OPRD1 P41143 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL5969172 0.80 KMT2A (0.45) MEN1KMT2AOPRD1HDAC1ATM
SCHEMBL12318659 0.79 GLS (0.49) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL21089822 0.78 GLS (0.48) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL28637112 0.78 GLS (0.48) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL23413688 0.77 GLS (0.46) BRD4GLSCREBBPHDAC1ATM
SCHEMBL14898071 0.77 GLS (0.48) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL27779357 0.77 GLS (0.47) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL31351013 0.76 MAOB (0.48) MEN1KMT2ANPSR1LMNA
SCHEMBL31389110 0.76 SYK (0.46) NAMPTBRD4GLSCREBBPHDAC1
SCHEMBL3838871 0.75 CA12 (0.63) MEN1KMT2ALMNANAMPTHDAC1

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 12 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
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 4410/4885NPSR1 551/4885

“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.

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