SCHEMBL3082500

SCHEMBL3082500

CC1CC1C(=O)N[C@H]1CC[C@H](CCN2CCC(Oc3ccc(F)cc3C#N)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.42
DRD2 P14416 8/20 0.42
HTR2A P28223 8/20 0.42
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL3082496 1.00 DRD3 (0.42) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3080661 0.90 DRD3 (0.49) DRD3DRD2HTR2A
SCHEMBL3078178 0.89 DRD3 (0.53) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3067525 0.89 DRD3 (0.53) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3067834 0.88 DRD3 (0.47) DRD3DRD2HTR2A
SCHEMBL3075427 0.87 DRD2 (0.56) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3963444 0.87 DRD2 (0.56) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL14715609 0.86 HRH1 (0.45) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3083297 0.86 DRD3 (0.47) DRD3DRD2HTR2AHRH1CCR3
SCHEMBL3091198 0.86 DRD3 (0.47) DRD3DRD2HTR2AHRH1CCR3

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.