SCHEMBL17713049

SCHEMBL17713049

NN=Cc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
EPHX2 P34913 1/20 0.41
SCN4A P35499 1/20 0.41
MPL P40238 2/20 0.41
BACE1 P56817 1/20 0.40
PDE2A O00408 3/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PTPN5 P54829 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL17713048 1.00 IDO1 (0.41) IDO1EPHX2SCN4AMPLBACE1
SCHEMBL13548653 0.81 PDE2A (0.42) IDO1EPHX2SCN4ABACE1PDE2A
Hydrochloric Acid SCHEMBL5703291 0.78 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5220846 0.78 CES2 (0.42) EPHX2SCN4ABACE1PDE2AGRIN2D
SCHEMBL31136730 0.77 PDE2A (0.39) IDO1BACE1PDE2ACYP1A1CYP1B1
SCHEMBL17712848 0.76 GRIN2D (0.61) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17712851 0.76 GRIN2D (0.61) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28093529 0.75 PDE2A (0.37) IDO1BACE1PDE2ACYP1A1CYP1B1
SCHEMBL28093533 0.75 PDE2A (0.37) IDO1BACE1PDE2ACYP1A1CYP1B1
SCHEMBL17044413 0.75 LMNA (0.44) PDE2AGRIN2DGRIN3BGRIN1GRIN2A

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 11 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
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 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-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-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

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 IDO1 2625/4885EPHX2 2591/4885SCN4A 1417/4885
US-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 IDO1 2572/4885EPHX2 2779/4885SCN4A 1429/4885
US-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 IDO1 2572/4885EPHX2 2779/4885SCN4A 1429/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 IDO1 2572/4885EPHX2 2779/4885SCN4A 1429/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 IDO1 2572/4885EPHX2 2779/4885SCN4A 1429/4885
US-10239870-B2 Dopamine D3 receptor antagonists DRD3, DRD2, DRD4 IDO1 2625/4885EPHX2 2591/4885SCN4A 1417/4885

“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.