SCHEMBL3089494

SCHEMBL3089494

O=C(N[C@H]1CC[C@H](CCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccnc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.64
DRD2 P14416 17/20 0.64
HTR2A P28223 9/20 0.64
HTR1A P08908 3/20 0.64
DRD4 P21917 3/20 0.64
HTR2C P28335 3/20 0.64
HTR2B P41595 3/20 0.64
DRD1 P21728 1/20 0.59
HRH1 P35367 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTR1D P28221 1/20 0.54

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
SCHEMBL14715628 0.88 DRD2 (0.49) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL3083219 0.88 DRD3 (0.62) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL3073465 0.88 DRD3 (0.64) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL3091220 0.86 DRD3 (0.73) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL3087616 0.85 DRD3 (0.61) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL228175 0.85 DRD3 (0.67) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL228176 0.85 DRD3 (0.67) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL3086163 0.82 DRD3 (0.59) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL229035 0.82 DRD3 (0.72) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL229638 0.82 DRD3 (0.72) DRD3DRD2HTR2AHTR1ADRD4

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 59/4885HTR2A 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.