SCHEMBL5404683

SCHEMBL5404683

Clc1cccc(CC2C[CH]C2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PNMT P11086 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43

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
SCHEMBL1119533 0.86 ALDH1A1 (0.61) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL22265771 0.81 SLC6A4 (0.49) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL31621850 0.79 KDM4E (0.48) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL13504025 0.78 ALDH1A1 (0.54) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL22278176 0.78 SLC6A4 (0.50) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL3166228 0.78 GBA1 (0.62) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL2166488 0.78 ALDH1A1 (0.54) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL12404400 0.78 ALDH1A1 (0.54) GLAKDM4EALDH1A1GAAMAPT
SCHEMBL2199688 0.78 ALDH1A1 (0.54) GLAKDM4EALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL18280203 0.77 GBA1 (0.61) GLAKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (1 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 GLA 434/4885KDM4E 1129/4885ALDH1A1 3102/4885

“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.