SCHEMBL4872348

SCHEMBL4872348

Cn1c(S)nnc1C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD3 P35462 12/20 0.34
DRD2 P14416 11/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TDP2 O95551 1/20 0.33
HSD11B1 P28845 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1C Q14123 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL390863 0.86 KMT2A (0.41) MEN1KMT2AALDH1A1
SCHEMBL390748 0.82 ALDH1A1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL390783 0.82 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL1544893 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL28381052 0.81 MEN1 (0.30) MEN1KMT2A
SCHEMBL17725440 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL18454281 0.76 MEN1 (0.35) MEN1KMT2AHSD11B1ALDH1A1
SCHEMBL17712727 0.75 MEN1 (0.64) MEN1KMT2ADRD3DRD2KCNH2
SCHEMBL19612578 0.75 DRD2 (0.35) MEN1KMT2ADRD3DRD2KCNH2
SCHEMBL22211357 0.73 PDE1B (0.35) PDE1BMEN1KMT2ADRD3DRD2

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 31 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-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 US disclosed
EP-3212637-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS Indivior UK Limited (GB) 2017-09-06 EP disclosed
WO-2017021920-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LIMITED (GB) 2017-02-09 WO disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO disclosed
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) GLAXO GROUP LIMITED (GB) 2008-06-12 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 (6 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-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 PDE1B 854/4885MEN1 4820/4885KMT2A 2745/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 PDE1B 854/4885MEN1 4820/4885KMT2A 2745/4885
US-20080139532-A1 Tetrahydrobenzazepine Derivatives as Modulators of Dopamine D3 Receptors (Antipsychotic Agents) DRD3, DRD2, SLC6A3 PDE1B 1037/4885MEN1 4671/4885KMT2A 2085/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 PDE1B 854/4885MEN1 4820/4885KMT2A 2745/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 PDE1B 854/4885MEN1 4820/4885KMT2A 2745/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 PDE1B 2649/4885MEN1 3723/4885KMT2A 1947/4885

“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.