SCHEMBL4789201

SCHEMBL4789201

CCOC(=O)c1c(N2CCN(C)CC2)c2cc(C)ccc2n(Cc2ccccn2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL5118981 0.92 ALDH1A1 (0.40) ALDH1A1PLA2G2A
SCHEMBL5123108 0.92 S1PR3 (0.44) HRH1HTR6ALDH1A1
SCHEMBL14177944 0.91 PLA2G2A (0.40) ALDH1A1PLA2G2A
SCHEMBL27744615 0.89 FEN1 (0.46) HRH1HTR6ALDH1A1PLA2G2A
SCHEMBL14177947 0.87 KDM4E (0.51)
SCHEMBL5117212 0.83 L3MBTL1 (0.52) ALDH1A1PLA2G2A
SCHEMBL14177963 0.81 LMNA (0.45)
SCHEMBL14177959 0.80 GAA (0.48) ALDH1A1
SCHEMBL4893109 0.79 RECQL (0.55)
SCHEMBL14177957 0.79 L3MBTL1 (0.46) ALDH1A1

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-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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 (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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 HRH1 1799/4885HTR6 3913/4885ALDH1A1 2365/4885

“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.