SCHEMBL3086252

SCHEMBL3086252

NC1CCC(CCN2CCC(Oc3ccc(F)cc3F)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
DRD2 P14416 2/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM1A O60341 1/20 0.40
GPR6 P46095 6/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL14715699 1.00 GRM2 (0.47) GRM2DRD2HRH1CCR3SLC6A4
SCHEMBL3086108 0.88 DRD2 (0.46) DRD2HRH1CCR3SLC6A4
SCHEMBL3086106 0.88 DRD2 (0.46) DRD2HRH1CCR3SLC6A4
SCHEMBL3087227 0.86 DRD2 (0.39) GRM2DRD2SLC6A4HRH3
SCHEMBL3963647 0.86 DRD2 (0.39) GRM2DRD2SLC6A4HRH3
SCHEMBL14715697 0.86 HRH1 (0.46) GRM2HRH1CCR3GPR6
SCHEMBL3963825 0.86 HRH1 (0.46) GRM2HRH1CCR3GPR6
SCHEMBL3087873 0.85 HRH1 (0.41) GRM2DRD2HRH1CCR3SLC6A4
SCHEMBL3079710 0.85 HRH1 (0.41) GRM2DRD2HRH1CCR3SLC6A4
SCHEMBL14715744 0.85 HRH3 (0.44) HRH1GPR6HRH3

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 GRM2 69/4885DRD2 59/4885HRH1 3733/4885

“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.