SCHEMBL2307119

SCHEMBL2307119

Cc1nc2ccccc2cc1-c1nnc(SCCCCl)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
DRD3 P35462 6/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 3/20 0.40

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
SCHEMBL17712726 0.79 DRD3 (0.48) GAAALDH1A1DRD2NPC1RAB9A
SCHEMBL4385569 0.77 DRD2 (0.71) GAAALDH1A1DRD2NPC1RAB9A
SCHEMBL17712741 0.76 DRD3 (0.52) GAAALDH1A1DRD2NPC1RAB9A
SCHEMBL378206 0.75 KCNH2 (0.61) DRD2DRD3KCNH2HRH1
SCHEMBL12377969 0.75 DRD3 (0.56) ALDH1A1KDM4EDRD2NPC1RAB9A
SCHEMBL17712747 0.74 RAB9A (0.63) ALDH1A1DRD2NPC1RAB9ADRD3
SCHEMBL23465818 0.73 DRD2 (0.45) GAAALDH1A1KDM4EDRD2NPC1
SCHEMBL17713138 0.73 DRD2 (0.52) ALDH1A1KDM4EDRD2NPC1RAB9A
SCHEMBL2307186 0.72 KCNH2 (0.60) DRD2DRD3KCNH2HRH1
SCHEMBL17713029 0.72 DRD2 (0.53) ALDH1A1DRD2DRD3MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-1751163-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005118549-A2 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-15 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 GAA 2436/4885ALDH1A1 941/4885KDM4E 4025/4885

“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.