SCHEMBL17712969

SCHEMBL17712969

Cc1ccc(C(N)=O)nc1-c1nnc(S)n1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
NNMT P40261 1/20 0.34
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 1/20 0.31
CNR2 P34972 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MAP3K14 Q99558 1/20 0.31
PIM3 Q86V86 1/20 0.31
TGFBR1 P36897 1/20 0.30
FAAH O00519 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
PKMYT1 Q99640 2/20 0.30
SOAT1 P35610 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17725128 0.77 SCN9A (0.41) DGAT1KDM4EGLAHTTPIM1
SCHEMBL17712739 0.74 DRD2 (0.40)
SCHEMBL17713127 0.72 GSK3B (0.37) KDM4ECCNCCDK8ALDH1A1
SCHEMBL17712957 0.71
SCHEMBL17725101 0.70 HSD11B1 (0.49) ALDH1A1
SCHEMBL17712973 0.70 SIRT6 (0.41) KDM4EALDH1A1
SCHEMBL3999989 0.67 NOS3 (0.46) DGAT1NNMTKDM4EPIM1PKMYT1
SCHEMBL17713134 0.66 NNMT (0.42) NNMTKDM4EALDH1A1
SCHEMBL17725165 0.66 PARP1 (0.50) KDM4EALDH1A1
SCHEMBL12488275 0.66 PIM1 (0.42) DGAT1NNMTPIM1PKMYT1

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 DGAT1 2157/4885NNMT 1785/4885KDM4E 3242/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DGAT1 2148/4885NNMT 1727/4885KDM4E 3324/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DGAT1 2148/4885NNMT 1727/4885KDM4E 3324/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DGAT1 2148/4885NNMT 1727/4885KDM4E 3324/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DGAT1 2148/4885NNMT 1727/4885KDM4E 3324/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 DGAT1 2157/4885NNMT 1785/4885KDM4E 3242/4885

“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.