SCHEMBL3082089

SCHEMBL3082089

O=C(N[C@H]1CC[C@H](CCN2CCC(Oc3c(Cl)cc(F)cc3Cl)CC2)CC1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.55
DRD2 P14416 16/20 0.55
HTR2A P28223 8/20 0.48
HTR1A P08908 1/20 0.46
ACKR3 P25106 1/20 0.43

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
SCHEMBL3083178 0.92 DRD3 (0.55) DRD3DRD2HTR2A
SCHEMBL3080017 0.90 DRD3 (0.51) DRD3DRD2HTR2AHTR1A
SCHEMBL14715634 0.88 DRD3 (0.45) DRD3DRD2HTR2AHTR1A
SCHEMBL14715617 0.87 DRD3 (0.51) DRD3DRD2HTR2AHTR1A
SCHEMBL3069391 0.87 DRD3 (0.51) DRD3DRD2HTR2AHTR1A
SCHEMBL3084651 0.86 DRD3 (0.54) DRD3DRD2HTR2AHTR1A
SCHEMBL3087685 0.84 DRD3 (0.52) DRD3DRD2HTR2AHTR1AACKR3
SCHEMBL14715734 0.83 DRD3 (0.61) DRD3DRD2HTR2AHTR1A
SCHEMBL3084894 0.83 DRD3 (0.61) DRD3DRD2HTR2AHTR1A
SCHEMBL3082294 0.82 DRD3 (0.51) DRD3DRD2HTR2AHTR1A

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.