SCHEMBL772552

SCHEMBL772552

[CH2]CN1CCC(CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
HRH3 Q9Y5N1 2/20 0.33
ACHE P22303 1/20 0.33
ALOX5 P09917 1/20 0.32
TYMP P19971 1/20 0.32
NCF1 P14598 1/20 0.31
GAA P10253 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
SCHEMBL21409707 0.81 ACHE (0.36) LTA4HHRH3ACHETYMP
SCHEMBL14067220 0.79 LTA4H (0.37) LTA4HHRH3ACHEALOX5TYMP
SCHEMBL1316226 0.75 SLC18A3 (0.47) LTA4HHRH3ACHE
SCHEMBL7361155 0.75 CHRM5 (0.46) ACHE
SCHEMBL1839093 0.75 SMN1; SMN2 (0.48) LTA4HHRH3ACHE
SCHEMBL772033 0.75 NCF1 (0.36) HRH3ACHENCF1
SCHEMBL2677971 0.75 LTA4H (0.36) LTA4HHRH3ACHEGAA
SCHEMBL594290 0.74
SCHEMBL425941 0.74
SCHEMBL4378954 0.73 HRH3 (0.45) LTA4HHRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019188867-A1 NOVEL CATIONIC LIPID EXHIBITING IMPROVED INTRACELLULAR DYNAMICS 日油株式会社 2019-10-03 WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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
CN-101479266-A Spiro-fused piperidines as modulators of muscarinic receptors VERTEX PHARMA (US) 2009-07-08 CN disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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

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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 LTA4H 3551/4885HRH3 4130/4885ACHE 3981/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LTA4H 3551/4885HRH3 4130/4885ACHE 3981/4885

“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.