SCHEMBL378959

SCHEMBL378959

Cn1c(SCCCCl)nnc1C1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.53
DRD2 P14416 15/20 0.53
KCNH2 Q12809 4/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL18488318 0.88 DRD2 (0.53) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL18454267 0.87 ALDH1A1 (0.57) DRD3DRD2KCNH2KDM4EALDH1A1
SCHEMBL17712959 0.86 ALDH1A1 (0.59) DRD3DRD2KCNH2KDM4EALDH1A1
SCHEMBL17725148 0.84 MEN1 (0.59) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL23465959 0.83 DRD3 (0.62) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL17713084 0.82 DRD2 (0.50) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL17712913 0.79 DRD2 (0.54) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL18452270 0.78 ALDH1A1 (0.42) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL18453604 0.78 DRD3 (0.51) DRD3DRD2KCNH2CHRM1CHRM3
SCHEMBL17712763 0.77 DRD3 (0.52) DRD3DRD2KCNH2CHRM1CHRM3

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
CN-107108597-B Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2020-04-17 CN disclosed
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes INDIVIOR UK LIMITED (GB) 2020-03-10 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 US disclosed
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-06-17 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 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-2070922-A1 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2009-06-17 EP disclosed
EP-2060570-A2 Azabicyclo(3.1.0) hexane derivatives useful as modulators of dopamine D3 receptors Glaxo Group Limited (GB) 2009-05-20 EP disclosed
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1745040-A1 AZABICYCLO(3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-01-24 EP disclosed
WO-2005080382-A1 AZABICYCLO (3.1.0) HEXANE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (7 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-20070142438-A1 Azabicyclo (3.1.0.) hexane derivatives useful as modulators of dopamine d3 receptors DRD3, DRD1, DRD2 DRD3 1/4885DRD2 3/4885KCNH2 192/4885
US-20100152195-A1 Azabicyclo (3.1.0) Hexane Derivatives Useful As Modulators Of Dopamine D3 Receptors DRD3, DRD1, DRD2 DRD3 1/4885DRD2 3/4885KCNH2 176/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DRD3 1/4885DRD2 2/4885KCNH2 1283/4885
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 DRD3 1/4885DRD2 2/4885KCNH2 856/4885
US-20090036461-A1 Use of Azabicyclo Hexane Derivatives ADH1C, PKD1, HTT DRD3 152/4885DRD2 279/4885KCNH2 3743/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DRD3 1/4885DRD2 2/4885KCNH2 1283/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 DRD3 1/4885DRD2 2/4885KCNH2 1888/4885

“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.