SCHEMBL17713091

SCHEMBL17713091

Cn1c(SCCCCl)nnc1-c1ccc(=O)n(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD2 P14416 8/20 0.50
DRD3 P35462 7/20 0.50
KCNH2 Q12809 2/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 2/20 0.47
PTK2 Q05397 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL17712940 0.81 DRD2 (0.53) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL18758237 0.81 NPC1 (0.76) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL20840889 0.79 NPC1 (0.60) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712823 0.79 DRD2 (0.53) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL4385569 0.79 DRD2 (0.71) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712802 0.78 NPC1 (0.50) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712975 0.78 NPC1 (0.56) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712729 0.78 HDAC3 (0.69) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712844 0.78 HPGD (0.58) NPC1RAB9AMEN1CYP2C19KMT2A
SCHEMBL17712855 0.77 NPC1 (0.49) NPC1RAB9AMEN1CYP2C19KMT2A

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
EP-3331886-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY Indivior UK Limited (GB) 2018-06-13 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 NPC1 3367/4885RAB9A 1000/4885MEN1 4820/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 NPC1 3367/4885RAB9A 1000/4885MEN1 4820/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 NPC1 3367/4885RAB9A 1000/4885MEN1 4820/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 NPC1 3367/4885RAB9A 1000/4885MEN1 4820/4885
US-10584135-B2 Substituted 3,6-diazabicyclo[3.2.0]heptanes DRD3, DRD2, SLC6A3 NPC1 2781/4885RAB9A 875/4885MEN1 3723/4885

“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.