SCHEMBL17842007

SCHEMBL17842007

O=C(O)C1CCN(CCOc2ccccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
KDM4E B2RXH2 9/20 0.56
DRD2 P14416 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL17858356 0.88 KDM4E (0.55) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL17842417 0.87 LTA4H (0.52) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL23366605 0.87 KDM4E (0.52) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL17842398 0.86 LTA4H (0.54) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL23366752 0.86 DRD2 (0.51) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL17842360 0.85 KDM4E (0.70) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL17842233 0.84 LTA4H (0.60) LTA4HKDM4EDRD2ALDH1A1SMN1; SMN2
SCHEMBL17858391 0.83 KDM4E (0.51) KDM4EDRD2ALDH1A1SMN1; SMN2MEN1
SCHEMBL17842060 0.82 LTA4H (0.80) LTA4HKDM4EALDH1A1SMN1; SMN2HTR1A
SCHEMBL11255351 0.81 KDM4E (0.54) LTA4HKDM4EALDH1A1MEN1KMT2A

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 10 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

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 LTA4H 2479/4885KDM4E 4204/4885DRD2 1/4885
US-20190023656-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 LTA4H 2479/4885KDM4E 4204/4885DRD2 1/4885
US-10752588-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 LTA4H 2479/4885KDM4E 4204/4885DRD2 1/4885

“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.