SCHEMBL3069356

SCHEMBL3069356

O=C(Nc1ccc(Cl)cc1)NC1CCC(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.74
FAAH O00519 4/20 0.58
DRD2 P14416 2/20 0.54
HTR2A P28223 2/20 0.54
DRD3 P35462 2/20 0.54
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
AADAC P22760 1/20 0.50
NAMPT P43490 1/20 0.49

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
SCHEMBL3069359 1.00 EPHX2 (0.74) EPHX2FAAHDRD2HTR2ADRD3
SCHEMBL3079529 0.91 EPHX2 (0.60) EPHX2FAAHRECQL
SCHEMBL3079526 0.91 EPHX2 (0.60) EPHX2FAAHRECQL
SCHEMBL14715752 0.88 HTR2A (0.59) EPHX2DRD2HTR2ADRD3
SCHEMBL3090256 0.88 HTR2A (0.59) EPHX2DRD2HTR2ADRD3
SCHEMBL3074535 0.87 EPHX2 (0.56) EPHX2FAAHDRD2HTR2ADRD3
SCHEMBL3074537 0.87 EPHX2 (0.56) EPHX2FAAHDRD2HTR2ADRD3
SCHEMBL3182533 0.86 EPHX2 (1.00) EPHX2FAAHAADAC
SCHEMBL3182544 0.86 EPHX2 (1.00) EPHX2FAAHAADAC
SCHEMBL27900170 0.84 EPHX2 (0.51) EPHX2FAAHDRD2HTR2ADRD3

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-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN disclosed
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 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 (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-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A EPHX2 602/4885FAAH 1229/4885DRD2 59/4885

“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.