SCHEMBL5283607

SCHEMBL5283607

CCCCNC(=O)c1cccc(COCCOc2ccc(CCNC[C@@H](O)c3ccc4c(c3)COC(C)(C)O4)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 5/20 0.39
ADRB3 P13945 10/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ADRB1 P08588 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL5283602 1.00 NPC1 (0.40) NPC1RAB9AMEN1KMT2AADRB2
SCHEMBL5431423 0.98 MEN1 (0.39) NPC1RAB9AMEN1KMT2AADRB2
SCHEMBL5280696 0.92 ADRB2 (0.38) NPC1RAB9AADRB2ADRB3MAPT
SCHEMBL5280691 0.92 ADRB2 (0.38) NPC1RAB9AADRB2ADRB3MAPT
SCHEMBL5373383 0.92 ADRB2 (0.39) ADRB2ADRB3GAAADRB1SMN1; SMN2
SCHEMBL5373388 0.92 ADRB2 (0.39) ADRB2ADRB3GAAADRB1SMN1; SMN2
SCHEMBL5282937 0.91 ADRB2 (0.40) ADRB2ADRB3GAAADRB1SMN1; SMN2
SCHEMBL5282944 0.91 ADRB2 (0.40) ADRB2ADRB3GAAADRB1SMN1; SMN2
SCHEMBL5288433 0.90 ADRB3 (0.45) ADRB2ADRB3GAAADRB1SMN1; SMN2
SCHEMBL5288452 0.90 ADRB3 (0.45) ADRB2ADRB3GAAADRB1SMN1; SMN2

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 3 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

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 NPC1 1200/4885RAB9A 2271/4885MEN1 1073/4885

“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.