SCHEMBL3467778

SCHEMBL3467778

O=[N+]([O-])c1cn2c(n1)OCC(OCc1cccc(CN3CCC4(CC3)NCCN4)c1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.53
DRD4 P21917 6/20 0.34
SIGMAR1 Q99720 5/20 0.34
TMEM97 Q5BJF2 4/20 0.34
DRD3 P35462 4/20 0.34
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 4/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
ABCB1 P08183 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL4795500 0.92 CHRM1 (0.60) CHRM1DRD4SIGMAR1TMEM97KCNH2
SCHEMBL3466011 0.86 CHRM1 (0.56) CHRM1DRD4SIGMAR1TMEM97DRD3
SCHEMBL3198529 0.81 CHRM1 (0.63) CHRM1DRD4SIGMAR1TMEM97KMT2A
SCHEMBL3198416 0.81 CHRM1 (0.63) CHRM1DRD4SIGMAR1TMEM97KMT2A
SCHEMBL3467416 0.80 CHRM1 (0.65) CHRM1SIGMAR1MEN1KMT2AKCNH2
SCHEMBL3466834 0.80 CHRM1 (0.52) CHRM1MEN1KMT2A
SCHEMBL3195654 0.79 CHRM1 (0.63) CHRM1MAOAMAOBMEN1KMT2A
SCHEMBL3195648 0.79 CHRM1 (0.63) CHRM1MAOAMAOBMEN1KMT2A
SCHEMBL14004011 0.79 CHRM1 (0.73) CHRM1SIGMAR1MEN1KMT2AKCNH2
SCHEMBL29808816 0.79 CHRM1 (0.73) CHRM1SIGMAR1MEN1KMT2AKCNH2

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 4498/4885DRD4 1035/4885SIGMAR1 1122/4885

“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.