SCHEMBL5138405

SCHEMBL5138405

CCCCCOC(=O)[N]C(=O)OCCCCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
EPHX1 P07099 1/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HCAR2 Q8TDS4 2/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.45

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
SCHEMBL6576430 0.93 ALDH1A1 (0.58) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2677734 0.86 NAAA (0.56) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2677736 0.86 NAAA (0.56) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL15844201 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL9878352 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL15843475 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL15843513 0.84 ALDH1A1 (0.54) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL9878359 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2677851 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2678899 0.84 NAAA (0.59) NAAAEPHX1TSHRALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US claimed
EP-1896456-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP claimed
WO-2006134163-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO claimed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1896456-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006134163-A2 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A NAAA 1362/4885EPHX1 4012/4885TSHR 179/4885

“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.