SCHEMBL3079707

SCHEMBL3079707

N#Cc1cc(F)ccc1OC1CCN(CCC2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.44
CCR3 P51677 4/20 0.44
KCNH2 Q12809 2/20 0.44
CHRM4 P08173 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL14715627 1.00 HRH1 (0.44) HRH1CCR3KCNH2CHRM4ALDH1A1
SCHEMBL3963467 0.91 HRH1 (0.43) HRH1CCR3KCNH2CHRM4DRD2
SCHEMBL14715615 0.89 MEN1 (0.46) KCNH2CHRM4ALDH1A1SMN1; SMN2DRD2
SCHEMBL3959472 0.89 MEN1 (0.46) KCNH2CHRM4ALDH1A1SMN1; SMN2DRD2
SCHEMBL3960275 0.88 FPR2 (0.47) HRH1CCR3KCNH2CHRM4ALDH1A1
SCHEMBL14715696 0.88 FPR2 (0.47) HRH1CCR3KCNH2CHRM4ALDH1A1
SCHEMBL3080661 0.88 DRD3 (0.49) CHRM4DRD2DRD3
SCHEMBL3087873 0.88 HRH1 (0.41) HRH1CCR3KCNH2CHRM4DRD2
SCHEMBL3079710 0.88 HRH1 (0.41) HRH1CCR3KCNH2CHRM4DRD2
SCHEMBL3963825 0.87 HRH1 (0.46) HRH1CCR3KCNH2ALDH1A1SMN1; SMN2

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
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO 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 HRH1 3733/4885CCR3 4459/4885KCNH2 1595/4885

“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.