SCHEMBL3087153

SCHEMBL3087153

CC(=O)N[C@H]1CC[C@H](CCN2CCC(Oc3cccc(Cl)c3C#N)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.50
DRD3 P35462 11/20 0.50
HTR2A P28223 7/20 0.47
HTR1A P08908 2/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ABCB11 O95342 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD5 P21918 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL14715613 1.00 DRD2 (0.50) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL14715658 0.88 DRD2 (0.55) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3075424 0.88 DRD2 (0.55) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3078175 0.85 DRD2 (0.56) DRD2DRD3HTR2AHTR1A
SCHEMBL3080651 0.85 DRD2 (0.56) DRD2DRD3HTR2AHTR1A
SCHEMBL3968789 0.84 DRD2 (0.41) DRD2DRD3HRH1
SCHEMBL3067843 0.82 DRD3 (0.53) DRD2DRD3HTR2A
SCHEMBL3067847 0.82 DRD3 (0.53) DRD2DRD3HTR2A
SCHEMBL14715601 0.80 DRD3 (0.55) DRD2DRD3HTR2A
SCHEMBL3086334 0.80 DRD3 (0.55) DRD2DRD3HTR2A

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
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US claimed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US 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
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 DRD2 59/4885DRD3 71/4885HTR2A 565/4885

“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.