SCHEMBL20224820

SCHEMBL20224820

O=c1c(C(F)(F)F)cccn1CCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 5/20 0.48
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL1997416 0.89 MAPT (0.50) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL17848670 0.83 MAPT (0.50) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL26817055 0.80 MAPT (0.54) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL5162285 0.80 MAPT (0.48) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL3388058 0.80 MAPT (0.48) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL5162281 0.80 MAPT (0.48) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL13460189 0.80 MAPT (0.48) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL27739336 0.79 MAPT (0.52) MAPTKDM4EDRD2DRD3RXFP1
SCHEMBL29001226 0.78 RXFP1 (0.62) MAPTKDM4ERXFP1POLBSMN1; SMN2
SCHEMBL5901569 0.76 KDM4E (0.55) MAPTKDM4EDRD2DRD3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAPT 3320/4885KDM4E 4433/4885DRD2 1/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 MAPT 2493/4885KDM4E 4325/4885DRD2 1/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 MAPT 1596/4885KDM4E 4204/4885DRD2 1/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 MAPT 1596/4885KDM4E 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.