SCHEMBL5284581

SCHEMBL5284581

N#Cc1cccc(CCCCBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
HTR2B P41595 1/20 0.45
GLA P06280 1/20 0.44
MEP1A Q16819 1/20 0.43
MEP1B Q16820 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
IDH1 O75874 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FOLH1 Q04609 1/20 0.40
MRGPRX4 Q96LA9 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
SCHEMBL80726 0.95 HTR2B (0.46) GSK3BHTR2BGLAMEP1AMEP1B
SCHEMBL28865565 0.91 HTR2B (0.50) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL24358855 0.89 HTR2B (0.49) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL29732423 0.89 HTR2B (0.49) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL2058688 0.87 GLA (0.47) GSK3BHTR2BGLAMEP1AMEP1B
SCHEMBL28248372 0.87 HTR2B (0.54) HTR2BGLAMEP1AMEP1BCYP19A1
SCHEMBL6962952 0.85 DRD2 (0.49) HTR2BGLAALDH1A1KCNJ1KCNH2
SCHEMBL6960752 0.84 FAAH (0.50) HTR2BGLAALDH1A1KCNJ1KCNH2
SCHEMBL6951637 0.84 FAAH (0.50) HTR2BGLAALDH1A1KCNJ1KCNH2
SCHEMBL2154019 0.82 GLA (0.53) GSK3BHTR2BGLAMEP1AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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 (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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD GSK3B 2893/4885HTR2B 851/4885GLA 1452/4885

“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.