SCHEMBL17848476

SCHEMBL17848476

OCCOc1ncccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
SSTR4 P31391 13/20 0.43
SSTR1 P30872 3/20 0.42
SLC22A12 Q96S37 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL15677613 0.83 SLC22A12 (0.44) ALDH1A1MAPTATMSSTR4SSTR1
SCHEMBL23344983 0.83 SLC6A2 (0.41) ALDH1A1
SCHEMBL16579444 0.81 ALDH1A1 (0.44) SCN9AALDH1A1MAPTATMSSTR4
SCHEMBL10202939 0.80 SSTR4 (0.49) SSTR4SSTR1SLC22A12
SCHEMBL17558277 0.80 CTNNB1 (0.45) SSTR4SSTR1CTNNB1WNT3A
SCHEMBL30783201 0.80 CTNNB1 (0.45) SSTR4SSTR1CTNNB1WNT3A
SCHEMBL15554350 0.80 SSTR4 (0.46) SSTR4SSTR1SLC22A12
SCHEMBL19668700 0.79 CYP11B1 (0.48) ALDH1A1MAPTATMSLC22A12
SCHEMBL2387153 0.79 SLC22A12 (0.46) ALDH1A1MAPTATMSSTR4SSTR1
SCHEMBL20797342 0.77 SSTR4 (0.46) SSTR4SSTR1SLC22A12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-11498896-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2022-11-15 US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
EP-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100940-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 (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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 SCN9A 2209/4885ALDH1A1 1823/4885MAPT 3320/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 SCN9A 2297/4885ALDH1A1 1919/4885MAPT 1596/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 SCN9A 2375/4885ALDH1A1 2551/4885MAPT 2493/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 SCN9A 2297/4885ALDH1A1 1919/4885MAPT 1596/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 SCN9A 2297/4885ALDH1A1 1919/4885MAPT 1596/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 SCN9A 2297/4885ALDH1A1 1919/4885MAPT 1596/4885

“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.