SCHEMBL3882151

SCHEMBL3882151

CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
ERN1 O75460 1/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GPR35 Q9HC97 1/20 0.49
CXCR2 P25025 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL12261952 0.87 MAPT (0.54) ALDH1A1SMN1; SMN2HPGDCA12CA1
SCHEMBL14894911 0.87 POLB (0.57) ALDH1A1L3MBTL1SMN1; SMN2HPGDCA12
SCHEMBL3193640 0.86 ALDH1A1 (0.67) HRH4ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL12261938 0.85 ALDH1A1 (0.46) HRH4ALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL12260740 0.83 KMT2A (0.60) ERN1ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL12261931 0.83 ALDH1A1 (0.61) ALDH1A1L3MBTL1SMN1; SMN2HPGDCA12
SCHEMBL521638 0.83 HRH4 (0.53) HRH4ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL12260742 0.81 SMN1; SMN2 (0.59) ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL12261942 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL12261934 0.80 L3MBTL1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357909-B1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2009-01-07 EP disclosed
US-20060084661-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
EP-1357909-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20040132694-A1 Il-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-07-08 US disclosed
EP-1357909-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2003-11-05 EP disclosed
WO-2002067919-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 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-20040132694-A1 Il-8 receptor antagonists CXCL8, CCR8, TLR8 HRH4 436/4885ERN1 3617/4885ALDH1A1 2352/4885
US-20060084661-A1 IL-8 receptor antagonists CXCL8, CCR8, TLR8 HRH4 436/4885ERN1 3617/4885ALDH1A1 2352/4885

“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.