SCHEMBL4872352

SCHEMBL4872352

Cc1nc2c3c(ccc2o1)CCNCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.46
HTR2B P41595 11/20 0.46
HTR2A P28223 10/20 0.46
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR1D P28221 1/20 0.34
HTR1E P28566 1/20 0.34
HTR7 P34969 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
HTR6 P50406 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 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
SCHEMBL24687752 0.82 STAT3 (0.40) DRD3KCNH2
SCHEMBL4877007 0.81 HTR2B (0.43) HTR2CHTR2BHTR2ADRD3KCNH2
SCHEMBL4871755 0.78 HTR2A (0.43) HTR2CHTR2BHTR2ADRD3KCNH2
SCHEMBL4871914 0.76 HTR2A (0.41) HTR2CHTR2BHTR2ADRD3KCNH2
SCHEMBL4880799 0.76 DRD3 (0.48) HTR2CHTR2BHTR2ADRD3KCNH2
SCHEMBL1011716 0.72 CHRNB2 (0.34) DRD3CHRNB2CHRNA4
SCHEMBL12930245 0.71 ELANE (0.45) CHRNB2CHRNA4
SCHEMBL2309780 0.69 CHRNB2 (0.53) HTR2CHTR2BHTR2ADRD3KCNH2
SCHEMBL19776193 0.66 HTR2C (0.36) HTR2CHTR2BHTR2AHTR1DHTR7
SCHEMBL17281458 0.66 ELANE (0.46)

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

“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.