SCHEMBL4877095

SCHEMBL4877095

Cc1cnc(-c2nnc(SCCCN3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 1.00
KCNH2 Q12809 19/20 1.00
HRH1 P35367 10/20 1.00
DRD2 P14416 1/20 0.68

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
SCHEMBL4868287 0.90 DRD3 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL4873512 0.86 DRD3 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL4871932 0.86 DRD3 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL4878800 0.85 DRD3 (1.00) DRD3KCNH2HRH1DRD2
Hydrochloric Acid SCHEMBL4876464 0.85 DRD3 (0.98) DRD3KCNH2HRH1DRD2
SCHEMBL4871686 0.84 KCNH2 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL4880874 0.83 DRD3 (1.00) DRD3KCNH2HRH1DRD2
Hydrochloric Acid SCHEMBL4871851 0.82 DRD3 (0.99) DRD3KCNH2HRH1DRD2
SCHEMBL4876471 0.81 DRD3 (1.00) DRD3KCNH2HRH1DRD2
SCHEMBL4868217 0.80 DRD3 (1.00) DRD3KCNH2HRH1DRD2

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
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US claimed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 WO 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-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 DRD3 1/4885KCNH2 686/4885HRH1 422/4885

“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.