SCHEMBL5280684

SCHEMBL5280684

CC(C)(C)[Si](C)(C)OCCCCc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
CYP19A1 P11511 1/20 0.42
DUT P33316 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
TSHR P16473 1/20 0.37
GLS O94925 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL1627498 0.83 CYP4F2 (0.40) DUT
SCHEMBL1247083 0.83 CYP4F2 (0.37) DUT
SCHEMBL17398452 0.82 IDO1 (0.47) MAOBMAOADUTSIGMAR1IDO1
SCHEMBL30879271 0.81 TSHR (0.59) MAOBTSHR
SCHEMBL17760802 0.80 IDO1 (0.46) SIGMAR1IDO1
SCHEMBL16307320 0.80 IDO1 (0.46) SIGMAR1IDO1
SCHEMBL631424 0.80 MAOB (0.42) MAOBMAOACYP19A1ABHD6IDO1
SCHEMBL6558611 0.80 IDO1 (0.46) SIGMAR1IDO1
SCHEMBL16784080 0.80 IDO1 (0.46) SIGMAR1IDO1
SCHEMBL1246141 0.80 DUT (0.37) MAOBMAOADUTRAB9A

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 8 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-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO 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 (2 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 MAOB 371/4885MAOA 277/4885CYP19A1 4202/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 MAOB 217/4885MAOA 136/4885CYP19A1 1343/4885

“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.