SCHEMBL2539836

SCHEMBL2539836

CNC(=O)OC1[CH]CCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
CHRM1 P11229 1/20 0.37
BCHE P06276 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL2539006 0.98 EPHX1 (0.40) EPHX1CHRM1BCHESMN1; SMN2MEN1
SCHEMBL2534714 0.98 EPHX1 (0.40) EPHX1CHRM1BCHESMN1; SMN2MEN1
SCHEMBL2534710 0.94 CHRM1 (0.38) EPHX1CHRM1BCHE
SCHEMBL2536596 0.88
SCHEMBL25697531 0.81 EPHX1 (0.38) EPHX1CHRM1SMN1; SMN2MEN1CYP1A2
SCHEMBL15747938 0.81 EPHX1 (0.38) EPHX1CHRM1SMN1; SMN2MEN1CYP1A2
SCHEMBL17085454 0.81 EPHX1 (0.38) EPHX1CHRM1SMN1; SMN2MEN1CYP1A2
SCHEMBL5578904 0.79 EPHX1 (0.62) EPHX1BCHESMN1; SMN2CYP3A4MAPT
SCHEMBL1928344 0.79 CHRM2 (0.33) EPHX1CHRM1MEN1KMT2A
SCHEMBL11042820 0.77 EPHX1 (0.35) EPHX1CHRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
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 1175/4885CHRM1 114/4885BCHE 760/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 EPHX1 910/4885CHRM1 77/4885BCHE 447/4885

“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.