SCHEMBL3093404

SCHEMBL3093404

O=C(N[C@H]1CC[C@H](CCN2CCC(Oc3cccc(Cl)c3Cl)CC2)CC1)C1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.58
DRD2 P14416 17/20 0.58
HTR2A P28223 12/20 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
SCHEMBL3083298 0.92 DRD2 (0.66) DRD3DRD2HTR2A
SCHEMBL14715668 0.90 DRD2 (0.53) DRD3DRD2HTR2A
SCHEMBL3083252 0.87 DRD3 (0.59) DRD3DRD2HTR2A
SCHEMBL14715658 0.86 DRD2 (0.55) DRD3DRD2HTR2A
SCHEMBL3075424 0.86 DRD2 (0.55) DRD3DRD2HTR2A
SCHEMBL14715653 0.85 DRD2 (0.55) DRD3DRD2HTR2A
SCHEMBL3067538 0.83 DRD3 (0.61) DRD3DRD2HTR2A
SCHEMBL3067399 0.82 DRD3 (0.60) DRD3DRD2HTR2A
SCHEMBL3083178 0.82 DRD3 (0.55) DRD3DRD2HTR2A
SCHEMBL3081884 0.81 DRD3 (0.61) DRD3DRD2HTR2A

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 4 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
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.