SCHEMBL2536581

SCHEMBL2536581

[CH2]CCCCCCOC(=O)NC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.68
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
NFKB1 P19838 1/20 0.48
CHRM3 P20309 1/20 0.48
MAPK1 P28482 1/20 0.48
CHRNA7 P36544 1/20 0.48
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 12/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1416257 1.00 EPHX1 (0.68) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL2533315 1.00 EPHX1 (0.68) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL2533085 0.98 EPHX1 (0.64) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL1416093 0.91
SCHEMBL14067802 0.89 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10817551 0.89 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812052 0.89 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10812071 0.89 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL10817110 0.89 EPHX1 (0.83) EPHX1CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL513507 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 EPHX1 1175/4885CHRNB2 217/4885CHRNA4 110/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 EPHX1 910/4885CHRNB2 299/4885CHRNA4 169/4885

“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.