SCHEMBL17842003

SCHEMBL17842003

NC(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
TDO2 P48775 5/20 0.43
GAA P10253 1/20 0.39
KCNN4 O15554 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NFE2L2 Q16236 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC4 P56524 2/20 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
SCHEMBL3999911 0.87 IDO1 (0.55) IDO1TDO2GAACES2CES1
SCHEMBL17842282 0.84 ADRB2 (0.42) IDO1TDO2GAANFE2L2ALDH1A1
SCHEMBL9729013 0.84 HTR2A (0.41) IDO1TDO2GAACES2CES1
Hydrochloric Acid SCHEMBL32690499 0.82 IDO1 (0.43) IDO1TDO2GAAALDH1A1
SCHEMBL17842404 0.82 IDO1 (0.47) IDO1TDO2GAACES2CES1
SCHEMBL694825 0.80 IDO1 (0.41) IDO1TDO2GAACES2CES1
SCHEMBL3061827 0.78 DPP4 (0.48) IDO1TDO2NFE2L2ALDH1A1
SCHEMBL933502 0.77 IDO1 (0.52) IDO1TDO2HDAC4
Hydrochloric Acid SCHEMBL2984894 0.76 IDO1 (0.46) IDO1TDO2NFE2L2ALDH1A1
SCHEMBL6566037 0.75 CES2 (0.43) IDO1TDO2GAAKCNN4CES2

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-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
EP-3233799-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2021-05-19 EP disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-10752588-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-11-14 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2019-01-24 US disclosed
EP-3233799-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100823-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
WO-2016100823-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 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 (3 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-20190345105-A9 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 IDO1 1260/4885TDO2 1158/4885GAA 2628/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 IDO1 1260/4885TDO2 1158/4885GAA 2628/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 IDO1 1260/4885TDO2 1158/4885GAA 2628/4885

“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.