SCHEMBL1047685

SCHEMBL1047685

C[C@@]1(COc2ccc(N3CCC(CCc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.80
SLC6A2 P23975 1/20 0.80
SLC6A4 P31645 1/20 0.80
KCNH2 Q12809 6/20 0.73
CHRM1 P11229 1/20 0.45
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
CHRM4 P08173 11/20 0.37
CHRM2 P08172 1/20 0.34

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
SCHEMBL1047686 1.00 PTGS1 (0.80) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2094166 1.00 PTGS1 (0.80) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL15442960 0.93 KCNH2 (0.75) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1045088 0.93 PTGS1 (0.81) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1044070 0.93 PTGS1 (0.81) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1044069 0.93 PTGS1 (0.81) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1045899 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1043389 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL1043388 0.92 PTGS1 (0.83) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL2093104 0.92 PTGS1 (0.76) PTGS1SLC6A2SLC6A4KCNH2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PTGS1 1542/4885SLC6A2 3945/4885SLC6A4 3929/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PTGS1 1542/4885SLC6A2 3945/4885SLC6A4 3929/4885

“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.