SCHEMBL3078178

SCHEMBL3078178

CC(=O)NC1CCC(CCN2CCC(Oc3ccc(F)cc3C#N)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.53
HTR2A P28223 8/20 0.53
DRD2 P14416 9/20 0.52
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3067525 1.00 DRD3 (0.53) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL14715609 0.90 HRH1 (0.45) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL3091198 0.90 DRD3 (0.47) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL3080661 0.90 DRD3 (0.49) DRD3HTR2ADRD2
SCHEMBL3083297 0.90 DRD3 (0.47) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL3075427 0.90 DRD2 (0.56) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL3963444 0.90 DRD2 (0.56) DRD3HTR2ADRD2HRH1CCR3
SCHEMBL3067843 0.89 DRD3 (0.53) DRD3HTR2ADRD2
SCHEMBL3067847 0.89 DRD3 (0.53) DRD3HTR2ADRD2
SCHEMBL3082496 0.89 DRD3 (0.42) DRD3HTR2ADRD2HRH1CCR3

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 claimed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP 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.