SCHEMBL17848540

SCHEMBL17848540

BrCCCCOc1ccc2ncsc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HKDC1 Q2TB90 1/20 0.47
PKM P14618 2/20 0.45
DRD2 P14416 5/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.39
DRD3 P35462 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE10A Q9Y233 3/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL27354687 0.95 DRD2 (0.44) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL17861608 0.90 DRD2 (0.45) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL3405940 0.88 DRD2 (0.48) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL10610945 0.84 NR5A1 (0.47) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL9178965 0.84 PKM (0.48) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL245196 0.83 DRD2 (0.47) NPC1RAB9ATDP1PKMDRD2
SCHEMBL23366727 0.81 ALDH1A1 (0.48) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL9845965 0.81 DRD2 (0.45) NPC1RAB9ATDP1KDM4EL3MBTL1
SCHEMBL17848359 0.78 DRD2 (0.46) NPC1RAB9ATDP1PKMDRD2
SCHEMBL10572843 0.77 GAA (0.45) NPC1RAB9ATDP1KDM4EL3MBTL1

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 14 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
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN 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-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-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
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 NPC1 3103/4885RAB9A 889/4885TDP1 1952/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 NPC1 2458/4885RAB9A 906/4885TDP1 2036/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 NPC1 2427/4885RAB9A 920/4885TDP1 2285/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NPC1 2458/4885RAB9A 906/4885TDP1 2036/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NPC1 2458/4885RAB9A 906/4885TDP1 2036/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 NPC1 2458/4885RAB9A 906/4885TDP1 2036/4885

“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.