SCHEMBL5449507

SCHEMBL5449507

CCOC(=O)CNC(=O)NCc1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.66
PPIB P23284 1/20 0.56
PPIA P62937 1/20 0.56
PPIG Q13427 1/20 0.56
RIPK1 Q13546 1/20 0.55
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ANPEP P15144 1/20 0.48
HTT P42858 1/20 0.46
AVPR2 P30518 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 3/20 0.43
NLRP3 Q96P20 1/20 0.43
POLB P06746 1/20 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
SCHEMBL2053656 0.81 PPID (0.67) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL8526169 0.80 PPID (0.61) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL12643825 0.80 PPID (1.00) PPIDPPIBPPIAPPIGEPHX2
SCHEMBL5444745 0.79 KMT2A (0.51) RIPK1ALDH1A1ANPEPKMT2AP2RX7
SCHEMBL15832182 0.78 PPID (0.67) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL2036646 0.77 PPID (0.74) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL2051574 0.76 PPID (0.64) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL12643637 0.76 PPID (0.56) PPIDPPIBPPIAPPIGALDH1A1
Methylamine SCHEMBL8528191 0.76 PPID (0.91) PPIDPPIBPPIAPPIGALDH1A1
SCHEMBL29511550 0.76 PKM (0.53) EPHX2ALDH1A1NLRP3

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 4 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
EP-1478620-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-11-24 EP disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 PPID 3453/4885PPIB 3309/4885PPIA 3128/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 PPID 3453/4885PPIB 3309/4885PPIA 3128/4885

“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.