SCHEMBL423024

SCHEMBL423024

[CH2]C(=O)N1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.33
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL24120035 0.78 LIPE (0.38) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL1196794 0.76
SCHEMBL362028 0.76 PKM (0.40) LIPEPKMKMT2APOLBHSP90AA1
Ethylene SCHEMBL8380036 0.75 ALDH1A1 (0.35) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL15334705 0.74 LIPE (0.36) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL1053985 0.74 ALDH1A1 (0.37) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL12012145 0.74 LIPE (0.36) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL14345913 0.74 POLB (0.38) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL12751023 0.74 LIPE (0.36) LIPEPKMKMT2APOLBHSP90AA1
SCHEMBL1053984 0.74 LIPE (0.36) LIPEPKMKMT2APOLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US claimed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP claimed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 LIPE 2534/4885PKM 4270/4885KMT2A 1865/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI LIPE 3019/4885PKM 4259/4885KMT2A 2259/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI LIPE 3019/4885PKM 4259/4885KMT2A 2259/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 LIPE 1480/4885PKM 3785/4885KMT2A 2063/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LIPE 2534/4885PKM 4270/4885KMT2A 1865/4885

“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.