SCHEMBL4880799

SCHEMBL4880799

Cc1cc(-c2nc3c4c(ccc3o2)CCNCC4)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.48
KCNH2 Q12809 4/20 0.48
HRH1 P35367 1/20 0.46
HTR2C P28335 8/20 0.39
HTR2A P28223 7/20 0.39
HTR2B P41595 7/20 0.39
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL2310141 0.80 DRD3 (0.49) DRD3KCNH2HRH1HTR2CHTR2A
SCHEMBL4872352 0.76 HTR2C (0.46) DRD3KCNH2HTR2CHTR2AHTR2B
SCHEMBL2283767 0.72 DRD3 (0.46) DRD3KCNH2HRH1HTR2CHTR2A
SCHEMBL4877007 0.70 HTR2B (0.43) DRD3KCNH2HRH1HTR2CHTR2A
SCHEMBL4871755 0.67 HTR2A (0.43) DRD3KCNH2HRH1HTR2CHTR2A
SCHEMBL4871914 0.65 HTR2A (0.41) DRD3KCNH2HRH1HTR2CHTR2A
SCHEMBL12433774 0.60 NPC1 (0.46) HTR2CHTR2AHTR2B
SCHEMBL24687752 0.59 STAT3 (0.40) DRD3KCNH2
SCHEMBL12439655 0.59 DRD3 (0.40) DRD3KCNH2HRH1
SCHEMBL2208510 0.59 HTR2A (0.48) HTR2CHTR2AHTR2B

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 3 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

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.