SCHEMBL3466205

SCHEMBL3466205

CC(C)(C)OC(=O)N1CCN(Cc2ccc(COC3COc4nc([N+](=O)[O-])cn4C3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.59
GPR119 Q8TDV5 3/20 0.39
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ENPP2 Q13822 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
NR1D1 P20393 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3466834 0.92 CHRM1 (0.52) CHRM1TP53MAPTTHRBALDH1A1
SCHEMBL3466812 0.85 CHRM1 (0.50) CHRM1GPR119MAPTALDH1A1LMNA
SCHEMBL3465898 0.85 CHRM1 (0.50) CHRM1GPR119MAPTALDH1A1LMNA
SCHEMBL29800401 0.84 CHRM1 (0.47) CHRM1MAPTALDH1A1LMNA
SCHEMBL29800550 0.83 CHRM1 (0.46) CHRM1MAPTALDH1A1LMNA
SCHEMBL3466864 0.82 CHRM1 (0.65) CHRM1MAPTALDH1A1LMNA
SCHEMBL3467416 0.82 CHRM1 (0.65) CHRM1MAPTALDH1A1LMNA
SCHEMBL3197866 0.81 CHRM1 (0.67) CHRM1GPR119NR1D1
SCHEMBL3196285 0.81 CHRM1 (0.67) CHRM1GPR119NR1D1
SCHEMBL3466776 0.80 GRM2 (0.41) CHRM1GPR119VEGFAEGLN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 CHRM1 4498/4885GPR119 3738/4885VEGFA 3096/4885

“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.