SCHEMBL4868240

SCHEMBL4868240

CCc1nc2ccc3c(c2s1)CCNCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.40
KCNH2 Q12809 2/20 0.40
HRH1 P35367 1/20 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
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2B P41595 12/20 0.37
HTR2A P28223 8/20 0.37
HTR2C P28335 8/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 2/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL4871924 0.81 CHRM2 (0.41) DRD3KCNH2HRH1CHRM2CHRM4
SCHEMBL14684249 0.74 RAB9A (0.56) NPC1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL2309798 0.72 NPC1 (0.61) DRD3KCNH2NPC1MAPK1RAB9A
SCHEMBL4876481 0.69 ESR2 (0.43) DRD3KCNH2HRH1MAPT
SCHEMBL16716025 0.66 RAB9A (0.51) NPC1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL14274194 0.65 RAB9A (0.46) DRD3KCNH2NPC1MAPK1RAB9A
SCHEMBL4877007 0.63 HTR2B (0.43) DRD3KCNH2HRH1CHRM2CHRM4
SCHEMBL24199111 0.63 NPC1 (0.43) NPC1MAPK1RAB9ASMN1; SMN2GAA
SCHEMBL19114655 0.63 SMN1; SMN2 (0.52) DRD3KCNH2HRH1NPC1MAPK1
SCHEMBL14684234 0.63 RAB9A (0.43) NPC1MAPK1RAB9ASMN1; SMN2GAA

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 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.