SCHEMBL3087640

SCHEMBL3087640

O=C(N[C@H]1CC[C@H](CCN2CCC(Oc3cccc(Cl)c3Cl)CC2)CC1)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.71
DRD3 P35462 18/20 0.71
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 2/20 0.51

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
SCHEMBL14715656 0.87 DRD2 (0.53) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL4991586 0.86 DRD2 (0.64) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL3075424 0.84 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL14715658 0.84 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL3080679 0.84 DRD2 (0.64) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL14715653 0.83 DRD2 (0.55) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL3082997 0.83 DRD2 (0.60) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL3083298 0.83 DRD2 (0.66) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL14715659 0.81 DRD3 (0.72) DRD2DRD3HTR1AHTR2A
SCHEMBL3079766 0.81 DRD3 (0.72) DRD2DRD3HTR1AHTR2A

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 DRD2 59/4885DRD3 71/4885HTR1A 451/4885

“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.