SCHEMBL3088045

SCHEMBL3088045

CC(=O)NC1CCC(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.55
HTR2A P28223 8/20 0.55
DRD2 P14416 7/20 0.55
EPHX2 P34913 3/20 0.50
NAMPT P43490 1/20 0.48

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
SCHEMBL3079841 1.00 DRD3 (0.55) DRD3HTR2ADRD2EPHX2NAMPT
SCHEMBL27900170 0.90 EPHX2 (0.51) DRD3HTR2ADRD2EPHX2NAMPT
SCHEMBL3959408 0.89 EPHX2 (0.50) DRD3HTR2ADRD2EPHX2NAMPT
Cyclopropane SCHEMBL14715705 0.88 EPHX2 (0.55) DRD3DRD2EPHX2NAMPT
SCHEMBL3087492 0.88 DRD3 (0.51) DRD3HTR2ADRD2EPHX2NAMPT
SCHEMBL3074454 0.88 DRD2 (0.56) DRD3HTR2ADRD2EPHX2NAMPT
SCHEMBL3074452 0.88 DRD2 (0.56) DRD3HTR2ADRD2EPHX2NAMPT
SCHEMBL3080642 0.86 DRD3 (0.61) DRD3HTR2ADRD2
SCHEMBL14715626 0.86 DRD3 (0.61) DRD3HTR2ADRD2
SCHEMBL3084840 0.86 DRD3 (0.52) DRD3HTR2ADRD2

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
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN claimed
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 DRD3 71/4885HTR2A 565/4885DRD2 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.