SCHEMBL17712973

SCHEMBL17712973

Cn1c(S)nnc1-c1cnc(C(N)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.41
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
GSK3B P49841 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LCK P06239 1/20 0.31
KMT2A Q03164 2/20 0.30
P2RY14 Q15391 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17713134 0.78 NNMT (0.42) NPC1ALDH1A1RAB9AL3MBTL1KDM4E
SCHEMBL17712739 0.78 DRD2 (0.40) GSK3BKMT2A
SCHEMBL4877890 0.76 DRD3 (0.34) TSHR
SCHEMBL17725128 0.75 SCN9A (0.41) KDM4E
SCHEMBL17713127 0.73 GSK3B (0.37) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL17712828 0.73 HDAC3 (0.42) NPC1ALDH1A1RAB9AUSP2TDP1
SCHEMBL17712969 0.70 DGAT1 (0.39) ALDH1A1KDM4E
SCHEMBL2635320 0.69 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL4701736 0.68 RAB9A (0.49) TSHRNPC1ALDH1A1RAB9AUSP2
SCHEMBL17725101 0.68 HSD11B1 (0.49) ALDH1A1

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 19 patents. 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
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-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-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-10239870-B2 Dopamine D3 receptor antagonists INDIVIOR UK LIMITED (GB) 2019-03-26 US disclosed
US-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS INDIVIOR UK LIMITED (GB) 2018-10-04 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-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-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

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-20180282318-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS DRD3, DRD2, DRD4 SIRT6 2593/4885ADORA3 34/4885TSHR 168/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 SIRT6 2690/4885ADORA3 31/4885TSHR 148/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 SIRT6 2690/4885ADORA3 31/4885TSHR 148/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 SIRT6 2690/4885ADORA3 31/4885TSHR 148/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 SIRT6 2690/4885ADORA3 31/4885TSHR 148/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 SIRT6 2593/4885ADORA3 34/4885TSHR 168/4885

“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.