SCHEMBL3075403

SCHEMBL3075403

N#Cc1ccccc1OC1CCN(CC[C@H]2CC[C@H](NC(=O)c3ccnc4ccccc34)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.65
DRD2 P14416 18/20 0.65
HRH1 P35367 1/20 0.61
KCNH2 Q12809 1/20 0.61
HTR1D P28221 1/20 0.60
HTR2A P28223 9/20 0.60
HTR1A P08908 3/20 0.58
DRD4 P21917 3/20 0.58
HTR2C P28335 3/20 0.58
HTR2B P41595 3/20 0.58
DRD1 P21728 1/20 0.56

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
SCHEMBL14715630 0.89 DRD2 (0.51) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3091220 0.86 DRD3 (0.73) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3086163 0.85 DRD3 (0.59) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3083219 0.85 DRD3 (0.62) DRD3DRD2HRH1KCNH2HTR2A
SCHEMBL3073465 0.84 DRD3 (0.64) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3087616 0.84 DRD3 (0.61) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3078175 0.81 DRD2 (0.56) DRD3DRD2HTR2AHTR1A
SCHEMBL3080651 0.81 DRD2 (0.56) DRD3DRD2HTR2AHTR1A
SCHEMBL3089494 0.81 DRD3 (0.64) DRD3DRD2HRH1KCNH2HTR1D
SCHEMBL3080051 0.79 DRD3 (0.50) DRD3DRD2HRH1HTR1DHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD3 71/4885DRD2 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.