SCHEMBL5451323

SCHEMBL5451323

NC(=O)Nc1cccc(CCCCOCCCCCCBr)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.55
ADRB1 P08588 11/20 0.55
ADRB3 P13945 11/20 0.55
NR1H4 Q96RI1 1/20 0.44
S1PR1 P21453 4/20 0.43
S1PR4 O95977 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SPHK1 Q9NYA1 2/20 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
SCHEMBL5443906 0.86 NR1H4 (0.48) ADRB2ADRB1ADRB3NR1H4
SCHEMBL5452122 0.83 ADRB2 (0.55) ADRB2ADRB1ADRB3S1PR1S1PR4
SCHEMBL5450601 0.82 ADRB2 (0.58) ADRB2ADRB1ADRB3NR1H4
SCHEMBL5447417 0.81 ADRB2 (0.55) ADRB2ADRB1ADRB3SPHK1
SCHEMBL5448093 0.80 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL11340641 0.79 S1PR1 (0.60) S1PR1S1PR4S1PR3S1PR5SPHK1
SCHEMBL77257 0.79 S1PR1 (0.60) S1PR1S1PR4S1PR3S1PR5SPHK1
SCHEMBL5281907 0.78 CYP4F2 (0.52) ADRB2ADRB1ADRB3S1PR1S1PR4
SCHEMBL5449569 0.78 IKBKB (0.37) ADRB2ADRB1ADRB3
SCHEMBL5447152 0.78 IKBKB (0.37) ADRB2ADRB1ADRB3

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-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885

“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.