SCHEMBL4871924

SCHEMBL4871924

Cc1nc2ccc3c(c2s1)CCNCC3

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 8/20 0.40
HTR2C P28335 8/20 0.40
HTR2B P41595 8/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
KCNH2 Q12809 2/20 0.37
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL19114655 0.82 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL4868240 0.81 DRD3 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15001036 0.71 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL2307093 0.69 DRD2 (0.66) NPC1RAB9ASMN1; SMN2MAPTKCNH2
SCHEMBL16153618 0.69 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTMTNR1A
SCHEMBL2297371 0.67 MTNR1A (0.53) NPC1RAB9ASMN1; SMN2MAPTMTNR1A
SCHEMBL20709816 0.67 MTNR1A (0.50) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL19775896 0.67 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTMTNR1A
SCHEMBL17281453 0.66 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL15502922 0.65 HTR2C (0.50) HTR2AHTR2CHTR2B

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 CHRM2 7/4885CHRM4 30/4885CHRM5 23/4885

“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.