SCHEMBL4877007

SCHEMBL4877007

CCc1nc2c3c(ccc2o1)CCNCC3

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 14/20 0.43
HTR2A P28223 10/20 0.43
HTR2C P28335 10/20 0.43
DRD3 P35462 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH1 P35367 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL4872352 0.81 HTR2C (0.46) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL4871755 0.77 HTR2A (0.43) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL4871914 0.75 HTR2A (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2309199 0.72 DRD3 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL23552151 0.71 HTR2C (0.35) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL4880799 0.70 DRD3 (0.48) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2307639 0.67 KCNH2 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL2312426 0.66 KCNH2 (0.41) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL4868240 0.63 DRD3 (0.40) HTR2BHTR2AHTR2CDRD3KCNH2
SCHEMBL10313015 0.63 HTR2C (0.42) HTR2BHTR2CCHRM2CHRM4CHRM5

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
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 HTR2B 340/4885HTR2A 220/4885HTR2C 246/4885

“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.