SCHEMBL3087876

SCHEMBL3087876

O=C(N[C@H]1CC[C@H](CCN2CCC(Oc3cc(F)c(F)cc3F)CC2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.55
HTR2A P28223 10/20 0.55
DRD2 P14416 9/20 0.53
POLB P06746 1/20 0.52
UTS2R Q9UKP6 1/20 0.46

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
SCHEMBL14715678 1.00 DRD3 (0.55) DRD3HTR2ADRD2POLBUTS2R
SCHEMBL4077158 0.91 DRD2 (0.55) DRD3HTR2ADRD2POLB
SCHEMBL3079396 0.89 DRD3 (0.58) DRD3HTR2ADRD2POLB
SCHEMBL14715562 0.89 DRD3 (0.58) DRD3HTR2ADRD2POLB
SCHEMBL14715784 0.87 DRD3 (0.60) DRD3HTR2ADRD2POLBUTS2R
SCHEMBL3081406 0.87 DRD3 (0.60) DRD3HTR2ADRD2POLBUTS2R
SCHEMBL3067409 0.87 DRD3 (0.57) DRD3HTR2ADRD2POLB
SCHEMBL14715694 0.87 DRD3 (0.57) DRD3HTR2ADRD2POLB
SCHEMBL3090256 0.85 HTR2A (0.59) DRD3HTR2ADRD2
SCHEMBL14715752 0.85 HTR2A (0.59) DRD3HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed
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 71/4885HTR2A 565/4885DRD2 59/4885

“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.