SCHEMBL3074531

SCHEMBL3074531

COCCC(=O)N[C@H]1CC[C@H](CCN2CCC(Oc3ccc(F)cc3C#N)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.58
HTR2A P28223 17/20 0.58
DRD2 P14416 15/20 0.56
HTR1A P08908 3/20 0.56
DRD4 P21917 3/20 0.56
HTR2B P41595 3/20 0.56
HTR2C P28335 2/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL4995779 1.00 DRD3 (0.58) DRD3HTR2ADRD2HTR1ADRD4
SCHEMBL3067778 0.88 DRD3 (0.61) DRD3HTR2ADRD2HTR1ADRD4
SCHEMBL3093417 0.88 DRD3 (0.61) DRD3HTR2ADRD2HTR1ADRD4
SCHEMBL3078178 0.88 DRD3 (0.53) DRD3HTR2ADRD2
SCHEMBL3067525 0.88 DRD3 (0.53) DRD3HTR2ADRD2
SCHEMBL3091198 0.85 DRD3 (0.47) DRD3HTR2ADRD2HTR1A
SCHEMBL3080661 0.85 DRD3 (0.49) DRD3HTR2ADRD2
SCHEMBL14715609 0.85 HRH1 (0.45) DRD3HTR2ADRD2
SCHEMBL3083297 0.85 DRD3 (0.47) DRD3HTR2ADRD2HTR1A
SCHEMBL4057721 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 5 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
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.